CAS号:474-62-4-菜油甾醇 - Campesterol-科华智慧

1. 主信息

英文名:	Campesterol
中文名:	菜油甾醇
CAS编号:	474-62-4
化学分子式：	C₂₈H₄₈O
化学分子量：	400.7 g/mol
SMILES：	CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
来源：	酸枣狼毒大戟地黄苏木白茅
结构类型：	其他甾体化合物
其它名称或标识：	22,23-dihydrobrassicasterol 24 alpha-methylcholest-5-en-3 beta-ol 24-methylcholesterol campesterol campesterol, (3beta)-isomer

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	5mg	≥98%	800	点击购买	-20℃	现货	-
科华智慧	10mg	≥98%	1280	点击购买	-20℃	现货	-
科华智慧	50mg	≥98%	3840	点击购买	-20℃	现货	-

回顶

3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 77 80 0 1 0 0 0 0 0999 V2000 7.9588 0.2879 1.3194 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5026 0.2288 -0.8795 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2462 -1.0008 -0.3280 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7615 -0.9340 -0.5429 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3260 0.3501 0.1317 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9546 -0.1989 -0.5548 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0055 1.4571 -0.1046 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8851 0.4856 -0.0956 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5265 -2.1840 -0.9031 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5183 1.6259 -0.2345 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9877 -1.6986 -0.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4484 -2.1804 0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0651 0.6035 -1.2173 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3131 0.4524 -2.4005 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5886 -0.8600 0.1303 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4378 1.5271 0.9229 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9267 -2.0281 0.1984 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2052 0.9566 -1.5347 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0916 -0.8351 0.2868 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9625 1.5713 1.0135 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4432 0.0259 -0.8282 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5379 0.1936 1.3220 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9379 2.0845 -0.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6866 -0.0152 0.6854 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0726 -0.5794 1.0804 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.2651 0.1093 0.3563 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1957 -0.5517 2.6108 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6099 -0.5182 0.7428 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3284 1.6245 0.5661 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0881 -1.0379 0.7634 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9746 -0.9074 -1.6175 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1722 0.2112 1.2144 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0558 -0.1291 0.5365 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2591 1.3660 0.9592 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4494 2.3895 -0.4544 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4183 -3.0824 -0.2869 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1856 -2.4327 -1.9144 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7422 1.9415 -1.2576 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8234 2.4542 0.4151 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4051 -1.8666 -1.9324 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5972 -2.2662 -0.2214 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2537 -3.0344 -0.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0264 -2.4352 1.0151 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9980 0.5261 -2.3097 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7950 1.3763 -2.7344 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7393 0.5366 -2.6845 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7320 -0.3641 -2.9973 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0482 1.3028 1.9253 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0811 2.5332 0.6718 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4783 -2.9472 0.3817 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7404 0.3106 -2.2867 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8605 1.9805 -1.7115 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2804 0.9591 -1.7427 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4836 -1.8193 0.5747 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5603 -0.6186 -0.6816 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3939 1.9631 0.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2670 2.2789 1.7948 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2024 0.6436 -1.3197 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5629 -0.9824 -1.2418 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2252 -0.1187 2.3259 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8862 2.6022 -1.0339 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2046 2.5976 -1.4703 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6987 2.2347 0.2122 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9413 -0.6530 1.1714 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5654 0.9871 1.1119 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0840 -1.6369 0.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3111 -0.5956 1.5212 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1550 -0.0702 -0.7201 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1010 -1.0622 2.9516 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2103 0.4719 2.9975 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3474 -1.0681 3.0741 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5790 -1.6074 0.6354 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4070 -0.1439 0.0908 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8924 -0.2793 1.7729 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1643 2.0536 0.0022 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4769 1.8807 1.6197 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4182 2.1217 0.2195 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 67 1 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 14 1 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 4 31 1 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 5 32 1 0 0 0 0 6 11 1 0 0 0 0 6 13 1 0 0 0 0 6 33 1 0 0 0 0 7 10 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 8 18 1 0 0 0 0 9 11 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 17 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 21 1 0 0 0 0 13 23 1 0 0 0 0 13 44 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 17 2 0 0 0 0 15 19 1 0 0 0 0 16 20 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 50 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 19 22 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 20 22 1 0 0 0 0 20 56 1 0 0 0 0 20 57 1 0 0 0 0 21 24 1 0 0 0 0 21 58 1 0 0 0 0 21 59 1 0 0 0 0 22 60 1 0 0 0 0 23 61 1 0 0 0 0 23 62 1 0 0 0 0 23 63 1 0 0 0 0 24 25 1 0 0 0 0 24 64 1 0 0 0 0 24 65 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 66 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 26 68 1 0 0 0 0 27 69 1 0 0 0 0 27 70 1 0 0 0 0 27 71 1 0 0 0 0 28 72 1 0 0 0 0 28 73 1 0 0 0 0 28 74 1 0 0 0 0 29 75 1 0 0 0 0 29 76 1 0 0 0 0 29 77 1 0 0 0 0

回顶

4. 国际命名与标识

4.1 IUPAC Name

(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

4.2 InChl

InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1

4.3 InChlKey

SGNBVLSWZMBQTH-PODYLUTMSA-N

4.4 Canonical SMILES

CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C

4.5 lsomeric SMILES

C[C@H](CC[C@@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 29 32 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 0.849126 -3.4147 0 0
M  V30 2 C 0.849404 -4.38957 0 0
M  V30 3 C 0.00527933 -4.87725 0 0
M  V30 4 C 1.69381 -4.87677 0 0
M  V30 5 C 1.69409 -5.85164 0 0
M  V30 6 C 2.53793 -4.38909 0 0
M  V30 7 C 3.38234 -4.87629 0 0
M  V30 8 C 4.22646 -4.38861 0 0
M  V30 9 C 5.07086 -4.8758 0 0
M  V30 10 C 4.22618 -3.41374 0 0
M  V30 11 C 5.07002 -2.92556 0 0
M  V30 12 C 5.06974 -1.95029 0 0
M  V30 13 C 3.38061 -1.95077 0 0
M  V30 14 C 3.38088 -2.92604 0 0
M  V30 15 C 2.53586 -3.41422 0 0
M  V30 16 C 1.69056 -2.92653 0 0
M  V30 17 C 1.69029 -1.95125 0 0
M  V30 18 C 2.53531 -1.46308 0 0
M  V30 19 C 2.53503 -0.48721 0 0
M  V30 20 C 1.68973 0.000482536 0 0
M  V30 21 C 0.844708 -0.487692 0 0
M  V30 22 C 0.844986 -1.46356 0 0
M  V30 23 C 0.000557357 -1.95173 0 0
M  V30 24 C -0.84415 -1.46404 0 0
M  V30 25 C -0.844429 -0.488175 0 0
M  V30 26 C 0 -0 0 0
M  V30 27 O -1.7106 0.011578 0 0
M  V30 28 C 0.845272 -2.46356 0 0
M  V30 29 C 3.38117 -3.92604 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 4 5
M  V30 5 1 4 6
M  V30 6 1 6 7
M  V30 7 1 7 8
M  V30 8 1 8 9
M  V30 9 1 8 10
M  V30 10 1 10 14
M  V30 11 1 10 11
M  V30 12 1 11 12
M  V30 13 1 12 13
M  V30 14 1 13 18
M  V30 15 1 13 14
M  V30 16 1 14 15
M  V30 17 1 14 29
M  V30 18 1 15 16
M  V30 19 1 16 17
M  V30 20 1 17 22
M  V30 21 1 17 18
M  V30 22 1 18 19
M  V30 23 1 19 20
M  V30 24 2 20 21
M  V30 25 1 21 26
M  V30 26 1 21 22
M  V30 27 1 22 23
M  V30 28 1 22 28
M  V30 29 1 23 24
M  V30 30 1 24 25
M  V30 31 1 25 26
M  V30 32 1 25 27
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
白鲜皮	Dictamni Cortex	-
赤芍	Red Peony root	Radix Paeoniae Rubra
关黄柏	Phellodendri Amurensis Cortex	-
荆芥	all-grass of Fineleaf Schizonepeta	Herba Schizonepetae
决明子	Cassia Seed	Semen Cassiae;Semen Sene
芦荟	Aloe	Aloe
麻黄	Ephedra	Herba Ephedrae
桑白皮	Cortex Mori	-
菟丝子	Dodder Seed	Semen Cuseutae;Semen Cuseutae
乌梅	Smoked Plum	Fructus Mume

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