CAS号:520-26-3-橙皮苷 - Hesperidin-科华智慧

1. 主信息

英文名:	Hesperidin
中文名:	橙皮苷
CAS编号:	520-26-3
化学分子式：	C₂₈H₃₄O₁₅
化学分子量：	610.6 g/mol
SMILES：	CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O
来源：	杜鹃兰枇杷半边莲茯苓裂叶荆芥
结构类型：	黄酮类/二氢黄酮类
其它名称或标识：	2S, Hesperidin 4H-1-Benzopyran-4-one, 7-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-, (S)- 7-Rhamnoglucoside, Hesperetin Hesperetin 7 Rhamnoglucoside Hesperetin 7 Rutinoside

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≥98%	50	点击购买	2-8℃	现货	-
科华智慧	100mg	HPLC≥98%	280	点击购买	2-8℃	现货	-
科华智慧	1g	HPLC≥98%	1440	点击购买	2-8℃	现货	-
科华智慧	5g	95%	64	点击购买	2-8℃	现货	-
科华智慧	25g	95%	126	点击购买	2-8℃	现货	-
科华智慧	100g	95%	342	点击购买	2-8℃	现货	-

回顶

3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 77 81 0 1 0 0 0 0 0999 V2000 3.4756 0.0511 -0.0834 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8137 -1.9432 0.8519 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0094 -4.1175 1.3582 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1046 -2.8194 -1.6709 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5980 2.3495 -0.4662 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8905 -0.6248 -2.2625 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3711 1.8741 -2.6199 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1104 -2.9867 3.7514 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2108 -1.7317 2.4255 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3967 -3.4208 0.1324 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1128 1.7749 -0.5943 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9400 4.7043 2.6926 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6411 4.4151 2.5010 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4956 -0.7086 -2.6300 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2236 -1.1964 0.0931 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5872 -1.2695 -0.6167 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0268 -1.5315 -1.0655 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4834 -0.4727 -2.0692 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1894 0.9377 -1.5580 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1581 -2.1987 2.5905 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3505 -2.8244 1.8692 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0738 -2.1683 1.6844 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3561 -3.5520 1.0979 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7511 1.0581 -1.0544 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1489 -2.2438 0.4721 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0885 -4.1148 0.4401 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2793 -5.5538 -0.0311 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3640 2.6478 0.0435 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2218 2.0785 -0.5203 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0360 2.3737 0.0071 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2505 3.5198 1.1268 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2509 1.6681 0.2753 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1487 3.2646 1.0785 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6549 3.0370 0.8192 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9939 3.8347 1.6455 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4924 3.6298 1.5723 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3862 1.0311 -0.4981 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2956 0.1998 0.1558 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5226 1.2758 -1.8645 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3418 -0.3866 -0.5566 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5686 0.6892 -2.5771 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4782 -0.1420 -1.9231 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5637 -0.4075 -4.0224 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8872 -1.3657 -1.4579 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7023 -1.5352 -0.2012 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0213 -0.6387 -3.0494 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8968 1.2150 -0.7674 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3858 -1.1809 2.9279 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1485 -2.9849 2.6054 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9268 -1.4457 0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7213 -4.2227 1.8845 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0925 0.9562 -1.9258 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7984 -2.1320 1.3489 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2072 -3.2765 0.1108 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1824 -3.5159 -0.4391 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0798 -5.6312 -0.7727 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5158 -6.2125 0.8118 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6461 -5.9343 -0.4773 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4974 -2.8315 -2.4304 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3318 -0.4657 -1.4108 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7591 1.6394 -3.3382 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6700 -2.9346 4.3291 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0014 -0.8565 2.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0765 -2.8408 -0.5794 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2506 1.4130 -1.3756 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1447 3.9598 1.5618 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9712 0.9939 1.0977 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5071 2.9427 1.5015 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9199 3.7335 0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1912 0.0139 1.2218 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8346 1.9298 -2.3934 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0294 4.7960 3.0119 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6142 0.9262 -3.6344 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9723 -1.2511 1.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7390 0.6597 -4.1964 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6841 -0.7787 -4.5592 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4306 -0.9415 -4.4255 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 24 1 0 0 0 0 2 21 1 0 0 0 0 2 25 1 0 0 0 0 3 21 1 0 0 0 0 3 26 1 0 0 0 0 4 17 1 0 0 0 0 4 59 1 0 0 0 0 5 24 1 0 0 0 0 5 28 1 0 0 0 0 6 18 1 0 0 0 0 6 60 1 0 0 0 0 7 19 1 0 0 0 0 7 61 1 0 0 0 0 8 20 1 0 0 0 0 8 62 1 0 0 0 0 9 22 1 0 0 0 0 9 63 1 0 0 0 0 10 23 1 0 0 0 0 10 64 1 0 0 0 0 11 30 1 0 0 0 0 11 32 1 0 0 0 0 12 35 1 0 0 0 0 12 72 1 0 0 0 0 13 36 2 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 40 1 0 0 0 0 15 74 1 0 0 0 0 16 17 1 0 0 0 0 16 25 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 19 24 1 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 48 1 0 0 0 0 21 49 1 0 0 0 0 22 23 1 0 0 0 0 22 50 1 0 0 0 0 23 26 1 0 0 0 0 23 51 1 0 0 0 0 24 52 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 27 1 0 0 0 0 26 55 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 28 29 1 0 0 0 0 28 31 2 0 0 0 0 29 30 2 0 0 0 0 29 65 1 0 0 0 0 30 33 1 0 0 0 0 31 35 1 0 0 0 0 31 66 1 0 0 0 0 32 34 1 0 0 0 0 32 37 1 0 0 0 0 32 67 1 0 0 0 0 33 35 2 0 0 0 0 33 36 1 0 0 0 0 34 36 1 0 0 0 0 34 68 1 0 0 0 0 34 69 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 38 40 1 0 0 0 0 38 70 1 0 0 0 0 39 41 2 0 0 0 0 39 71 1 0 0 0 0 40 42 2 0 0 0 0 41 42 1 0 0 0 0 41 73 1 0 0 0 0 43 75 1 0 0 0 0 43 76 1 0 0 0 0 43 77 1 0 0 0 0

回顶

4. 国际命名与标识

4.1 IUPAC Name

(2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one

4.2 InChl

InChI=1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1

4.3 InChlKey

QUQPHWDTPGMPEX-QJBIFVCTSA-N

4.4 Canonical SMILES

CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O

4.5 lsomeric SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 43 47 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 11.2583 1.5 0 0
M  V30 2 C 11.2583 0.5 0 0
M  V30 3 C 12.1244 -2.27041e-14 0 0
M  V30 4 C 12.1244 -1 0 0
M  V30 5 C 11.2583 -1.5 0 0
M  V30 6 C 10.3923 -1 0 0
M  V30 7 O 10.3923 -2.09832e-14 0 0
M  V30 8 O 9.52628 -1.5 0 0
M  V30 9 C 8.66025 -1 0 0
M  V30 10 C 7.79423 -1.5 0 0
M  V30 11 C 7.79423 -2.5 0 0
M  V30 12 C 6.9282 -3 0 0
M  V30 13 C 6.06218 -2.5 0 0
M  V30 14 C 6.06218 -1.5 0 0
M  V30 15 O 6.9282 -1 0 0
M  V30 16 O 5.19615 -1 0 0
M  V30 17 C 4.33013 -1.5 0 0
M  V30 18 C 4.33013 -2.5 0 0
M  V30 19 C 3.4641 -3 0 0
M  V30 20 C 2.59808 -2.5 0 0
M  V30 21 C 1.73205 -3 0 0
M  V30 22 O 1.73205 -4 0 0
M  V30 23 C 0.866025 -2.5 0 0
M  V30 24 C 0.866025 -1.5 0 0
M  V30 25 O 1.73205 -1 0 0
M  V30 26 C 2.59808 -1.5 0 0
M  V30 27 C 3.4641 -1 0 0
M  V30 28 C -2.01911e-15 -1 0 0
M  V30 29 C -0.866025 -1.5 0 0
M  V30 30 C -1.73205 -1 0 0
M  V30 31 C -1.73205 1.72085e-15 0 0
M  V30 32 C -0.866025 0.5 0 0
M  V30 33 C 0 -0 0 0
M  V30 34 O -2.59808 0.5 0 0
M  V30 35 C -2.59808 1.5 0 0
M  V30 36 O -2.59808 -1.5 0 0
M  V30 37 O 3.4641 -4 0 0
M  V30 38 O 5.19615 -3 0 0
M  V30 39 O 6.9282 -4 0 0
M  V30 40 O 8.66025 -3 0 0
M  V30 41 O 11.2583 -2.5 0 0
M  V30 42 O 12.9904 -1.5 0 0
M  V30 43 O 12.9904 0.5 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 1 2 3
M  V30 4 1 3 4
M  V30 5 1 3 43
M  V30 6 1 4 5
M  V30 7 1 4 42
M  V30 8 1 5 6
M  V30 9 1 5 41
M  V30 10 1 6 7
M  V30 11 1 6 8
M  V30 12 1 8 9
M  V30 13 1 9 10
M  V30 14 1 10 15
M  V30 15 1 10 11
M  V30 16 1 11 12
M  V30 17 1 11 40
M  V30 18 1 12 13
M  V30 19 1 12 39
M  V30 20 1 13 14
M  V30 21 1 13 38
M  V30 22 1 14 15
M  V30 23 1 14 16
M  V30 24 1 16 17
M  V30 25 1 17 27
M  V30 26 2 17 18
M  V30 27 1 18 19
M  V30 28 2 19 20
M  V30 29 1 19 37
M  V30 30 1 20 26
M  V30 31 1 20 21
M  V30 32 2 21 22
M  V30 33 1 21 23
M  V30 34 1 23 24
M  V30 35 1 24 25
M  V30 36 1 24 28
M  V30 37 1 25 26
M  V30 38 2 26 27
M  V30 39 1 28 33
M  V30 40 2 28 29
M  V30 41 1 29 30
M  V30 42 2 30 31
M  V30 43 1 30 36
M  V30 44 1 31 32
M  V30 45 1 31 34
M  V30 46 2 32 33
M  V30 47 1 34 35
M  V30 END BOND
M  V30 END CTAB
M  END

回顶

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

回顶

6. 相关药材

中文名称

英文名称

拉丁文名称

回顶

7. 相关靶点

基因靶点

靶点位置

参考文献

回顶

8. 相关疾病

疾病名称

疾病类型