CAS号:144-68-3-玉米黄素 - Zeaxanthin-科华智慧

1. 主信息

英文名:	Zeaxanthin
中文名:	玉米黄素
CAS编号:	144-68-3
化学分子式：	C₄₀H₅₆O₂
化学分子量：	568.9 g/mol
SMILES：	CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CC(CC2(C)C)O)C)C)C
来源：	-
结构类型：	-
其它名称或标识：	3R,3'R Zeaxanthin 3R,3'R-Zeaxanthin Beta Carotene 3,3' Diol beta-carotene-3,3'-diol zeaxanthin

2. 供应商与价格

供应商	包装规格	含量	价格(元)	购买	环境要求	货期	说明
科华智慧	20mg	HPLC≥65%，鉴别	72	点击购买	-20℃，避光	现货	-
科华智慧	200mg	HPLC≥65%，鉴别	468	点击购买	-20℃，避光	现货	-
科华智慧	1g	60%	360	点击购买	-20℃，避光	现货	-
科华智慧	5g	60%	880	点击购买	-20℃，避光	现货	-

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3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 98 99 0 1 0 0 0 0 0999 V2000 14.8482 -2.4543 -0.0365 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.2598 1.4474 -0.1037 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0852 -1.9694 -0.1707 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5476 -1.0971 0.6594 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4582 -2.5665 0.2364 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9545 -0.5275 0.3378 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6189 -1.8692 -0.4551 C 0 0 1 0 0 0 0 0 0 0 0 0 -13.9464 0.9864 0.1983 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1159 -0.4228 -0.1719 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4561 -0.4479 -0.2239 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6327 -0.3933 -0.0809 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0166 1.3963 -0.9358 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2754 0.2787 -0.1044 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6896 0.6665 -0.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0580 -2.5309 0.8424 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7148 -2.4809 -1.5815 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2302 -0.8367 2.1496 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6446 -2.6260 0.4363 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8216 0.2307 -0.2763 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1550 -1.0957 -0.1916 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3950 1.7843 -0.0475 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7013 1.3346 -1.8898 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5058 1.3441 0.4039 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9969 -0.4171 -0.1546 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2281 2.0555 0.3582 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6545 -0.9980 -0.1171 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2666 3.5644 0.3172 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5490 -2.5059 -0.1113 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0292 1.4352 0.3204 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5153 -0.2731 -0.0804 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7050 2.0229 0.2735 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1434 -0.7466 -0.0416 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5650 1.3129 0.2381 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0917 0.0901 -0.0071 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1985 1.8439 0.2077 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6795 -0.2912 0.0302 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0407 3.3435 0.1944 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3484 -1.7636 0.0642 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1754 0.9630 0.1738 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6696 0.6044 0.0639 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7549 1.2544 0.1357 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2430 0.3547 0.1024 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6013 -2.4887 1.3243 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4933 -3.6436 0.0249 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6802 -0.8244 1.1069 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3386 -0.9639 -0.5961 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5531 -1.9826 -1.5428 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6358 1.4660 1.1329 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0689 -0.2635 0.9188 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3195 0.1136 -0.7712 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5185 1.2458 -1.9013 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8444 2.4780 -0.8569 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1088 -3.6252 0.8887 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0290 -2.2697 0.5709 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2442 -2.1445 1.8512 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3658 -2.0550 -2.3528 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8009 -3.5723 -1.6397 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6826 -2.2302 -1.8498 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1163 0.2319 2.3618 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2989 -1.3289 2.4531 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0259 -1.2233 2.7967 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5257 -3.0392 0.9423 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7785 -3.1616 0.8399 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7308 -2.8691 -0.6291 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1025 -0.2055 -0.9631 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1508 -2.1783 -0.2404 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6229 2.3048 -0.6194 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4080 2.1330 0.9897 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3367 2.1110 -0.5049 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2247 1.7322 -2.7679 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9509 0.6517 -2.2959 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2109 2.1763 -1.3909 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8231 -3.3949 -0.2818 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8402 1.1778 0.6286 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1870 1.7736 1.1329 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0026 0.6675 -0.0731 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2862 3.9274 0.1424 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6538 3.9652 -0.4972 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9283 3.9852 1.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1076 -2.9168 0.7385 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9789 -2.9137 -1.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5482 -2.9274 -0.0316 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0248 0.3446 0.3432 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6169 0.8130 -0.0817 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6600 3.1072 0.2822 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9594 -1.8115 -0.0491 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6459 0.2257 0.2366 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2768 1.1638 -0.0064 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4769 3.7823 1.0989 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0030 3.6799 0.1555 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5395 3.7742 -0.6811 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8508 -2.2408 0.9143 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6996 -2.2460 -0.8558 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2975 -2.0297 0.1655 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4036 -0.1034 0.1777 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9308 1.6631 0.0541 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4670 2.3016 0.1383 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0791 -0.6810 0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 73 1 0 0 0 0 2 8 1 0 0 0 0 2 74 1 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 3 15 1 0 0 0 0 3 16 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 4 17 1 0 0 0 0 4 18 1 0 0 0 0 5 7 1 0 0 0 0 5 43 1 0 0 0 0 5 44 1 0 0 0 0 6 8 1 0 0 0 0 6 45 1 0 0 0 0 6 46 1 0 0 0 0 7 11 1 0 0 0 0 7 47 1 0 0 0 0 8 12 1 0 0 0 0 8 48 1 0 0 0 0 9 13 2 0 0 0 0 9 19 1 0 0 0 0 10 14 2 0 0 0 0 10 20 1 0 0 0 0 11 13 1 0 0 0 0 11 49 1 0 0 0 0 11 50 1 0 0 0 0 12 14 1 0 0 0 0 12 51 1 0 0 0 0 12 52 1 0 0 0 0 13 21 1 0 0 0 0 14 22 1 0 0 0 0 15 53 1 0 0 0 0 15 54 1 0 0 0 0 15 55 1 0 0 0 0 16 56 1 0 0 0 0 16 57 1 0 0 0 0 16 58 1 0 0 0 0 17 59 1 0 0 0 0 17 60 1 0 0 0 0 17 61 1 0 0 0 0 18 62 1 0 0 0 0 18 63 1 0 0 0 0 18 64 1 0 0 0 0 19 23 2 0 0 0 0 19 65 1 0 0 0 0 20 24 2 0 0 0 0 20 66 1 0 0 0 0 21 67 1 0 0 0 0 21 68 1 0 0 0 0 21 69 1 0 0 0 0 22 70 1 0 0 0 0 22 71 1 0 0 0 0 22 72 1 0 0 0 0 23 25 1 0 0 0 0 23 75 1 0 0 0 0 24 26 1 0 0 0 0 24 76 1 0 0 0 0 25 27 1 0 0 0 0 25 29 2 0 0 0 0 26 28 1 0 0 0 0 26 30 2 0 0 0 0 27 77 1 0 0 0 0 27 78 1 0 0 0 0 27 79 1 0 0 0 0 28 80 1 0 0 0 0 28 81 1 0 0 0 0 28 82 1 0 0 0 0 29 31 1 0 0 0 0 29 83 1 0 0 0 0 30 32 1 0 0 0 0 30 84 1 0 0 0 0 31 33 2 0 0 0 0 31 85 1 0 0 0 0 32 34 2 0 0 0 0 32 86 1 0 0 0 0 33 35 1 0 0 0 0 33 87 1 0 0 0 0 34 36 1 0 0 0 0 34 88 1 0 0 0 0 35 37 1 0 0 0 0 35 39 2 0 0 0 0 36 38 1 0 0 0 0 36 40 2 0 0 0 0 37 89 1 0 0 0 0 37 90 1 0 0 0 0 37 91 1 0 0 0 0 38 92 1 0 0 0 0 38 93 1 0 0 0 0 38 94 1 0 0 0 0 39 41 1 0 0 0 0 39 95 1 0 0 0 0 40 42 1 0 0 0 0 40 96 1 0 0 0 0 41 42 2 0 0 0 0 41 97 1 0 0 0 0 42 98 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

(1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol

4.2 InChl

InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-24,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1

4.3 InChlKey

JKQXZKUSFCKOGQ-QAYBQHTQSA-N

4.4 Canonical SMILES

CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CC(CC2(C)C)O)C)C)C

4.5 lsomeric SMILES

CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C[C@H](CC2(C)C)O)C)\C)\C)/C)/C

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 42 43 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 18.1865 -1.5 0 0
M  V30 2 C 18.1865 -0.5 0 0
M  V30 3 C 17.3205 -3.80806e-14 0 0
M  V30 4 C 17.3205 1 0 0
M  V30 5 C 18.1865 1.5 0 0
M  V30 6 C 19.0526 1 0 0
M  V30 7 C 19.0526 -4.13558e-14 0 0
M  V30 8 O 19.9186 1.5 0 0
M  V30 9 C 16.8205 1.86603 0 0
M  V30 10 C 16.3205 1 0 0
M  V30 11 C 16.4545 -0.5 0 0
M  V30 12 C 15.5885 -3.43614e-14 0 0
M  V30 13 C 14.7224 -0.5 0 0
M  V30 14 C 13.8564 -3.06422e-14 0 0
M  V30 15 C 12.9904 -0.5 0 0
M  V30 16 C 12.1244 -2.64788e-14 0 0
M  V30 17 C 11.2583 -0.5 0 0
M  V30 18 C 10.3923 -2.27596e-14 0 0
M  V30 19 C 9.52628 -0.5 0 0
M  V30 20 C 8.66025 -1.90403e-14 0 0
M  V30 21 C 7.79423 -0.5 0 0
M  V30 22 C 6.9282 -1.53211e-14 0 0
M  V30 23 C 6.9282 1 0 0
M  V30 24 C 6.06218 -0.5 0 0
M  V30 25 C 5.19615 -1.07137e-14 0 0
M  V30 26 C 4.33013 -0.5 0 0
M  V30 27 C 3.4641 -5.66214e-15 0 0
M  V30 28 C 3.4641 1 0 0
M  V30 29 C 2.59808 -0.5 0 0
M  V30 30 C 1.73205 -2.83107e-15 0 0
M  V30 31 C 0.866025 -0.5 0 0
M  V30 32 C 0.866025 -1.5 0 0
M  V30 33 C 2.29802e-15 -2 0 0
M  V30 34 C -0.866025 -1.5 0 0
M  V30 35 C -0.866025 -0.5 0 0
M  V30 36 C 0 0 0 0
M  V30 37 C 0.5 0.866025 0 0
M  V30 38 C -0.5 0.866025 0 0
M  V30 39 O -1.73205 -2 0 0
M  V30 40 C 1.73205 -2 0 0
M  V30 41 C 11.2583 -1.5 0 0
M  V30 42 C 14.7224 -1.5 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 7
M  V30 3 2 2 3
M  V30 4 1 3 4
M  V30 5 1 3 11
M  V30 6 1 4 5
M  V30 7 1 4 9
M  V30 8 1 4 10
M  V30 9 1 5 6
M  V30 10 1 6 7
M  V30 11 1 6 8
M  V30 12 2 11 12
M  V30 13 1 12 13
M  V30 14 2 13 14
M  V30 15 1 13 42
M  V30 16 1 14 15
M  V30 17 2 15 16
M  V30 18 1 16 17
M  V30 19 2 17 18
M  V30 20 1 17 41
M  V30 21 1 18 19
M  V30 22 2 19 20
M  V30 23 1 20 21
M  V30 24 2 21 22
M  V30 25 1 22 23
M  V30 26 1 22 24
M  V30 27 2 24 25
M  V30 28 1 25 26
M  V30 29 2 26 27
M  V30 30 1 27 28
M  V30 31 1 27 29
M  V30 32 2 29 30
M  V30 33 1 30 31
M  V30 34 1 31 36
M  V30 35 2 31 32
M  V30 36 1 32 33
M  V30 37 1 32 40
M  V30 38 1 33 34
M  V30 39 1 34 35
M  V30 40 1 34 39
M  V30 41 1 35 36
M  V30 42 1 36 37
M  V30 43 1 36 38
M  V30 END BOND
M  V30 END CTAB
M  END

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5. 波谱数据

5.1 ¹³C核磁共振谱(¹³C NMR)

5.2 ¹H核磁共振谱(¹H NMR)

5.3 质谱(MS)

补充中

5.4 红外光谱(IR)

补充中

5.5 紫外/可见光谱(UV/Vis)

补充中

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6. 相关药材

中文名称	英文名称	拉丁文名称
扁豆	Niger Bean	Lablab niger
醋柳果	Seabuckthorn Fruit Equivalent plant: Hippophae rha	Hippophae rhamnoides
断血流	Clinopodium Herb	Herba Clinopodii
枸杞子	fruit of Chinese Wolfberry	Fructus Lycii
红海椒	Sweet Pepper Equivalent plant: Capsicum frutescens	Capsicum annuum
黄百合	Hanson Lily	Lilium hansonii
金银花	Honeysuckle Flower	Flos Lonicerae
金鱼	Crucian Carp	Carassius auratus
橘皮	Tangerine Pericarp	Citrus reticulata
螺旋藻	Spirulina major Kuetz.	-

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7. 相关靶点

基因靶点

靶点位置

参考文献

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8. 相关疾病

疾病名称

疾病类型