CAS: 10163-83-4; (3S,8R,9S,10R,11S,12S,13S,14S,17S)-11-Acetoxy-17-Acetyl-3,14-Dihydroxy-10,13-Dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthren-12-Yl 3-Methylbutanoate

该化合物是一种类固醇衍生物,具体地说是一种改良的百草枯形式,具有多种氢氧基化合物,有助于其溶解性和再活性,以及一种可增强生物活动的乙氧基化合物.20-oxo组的存在表明一种氯酮的功能,在类固醇化学中具有重大作用,在生物过程中的作用.该化合物有可能表现出荷尔蒙活动,可能会影响各种生理功能.其结构复杂性表明,它可能与体内的特定受体发生相互作用,从而引起对药理学研究的兴趣.此外,与3甲基丁酸的酯化可能会影响其代谢稳定性和生物利用率.

英文名称(3S,8R,9S,10R,11S,12S,13S,14S,17S)-11-Acetoxy-17-Acetyl-3,14-Dihydroxy-10,13-Dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthren-12-Yl 3-Methylbutanoate
中文名称苦绳甙元 A
IUPAC名称(3S,8R,9S,10R,11S,12S,13S,14S,17S)-11-acetoxy-17-acetyl-3,14-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-12-yl 3-methylbutanoate
其它别名11α-Acetoxy-3β,14β-Dihydroxy-12β-[(3-Methyl-1-Oxobutyl)Oxy]Pregn-5-En-20-One; Drevogenin A; Pregn-5-En-20-One, 11-(Acetyloxy)-3,14-Dihydroxy-12-(3-Methyl-1-Oxobutoxy)-, (3β,11α,12β,14β)-
CAS编号10163-83-4
MFCD编号:MFCD01756714
分子式:C28H42O7分子量:490.64
产品CID: 30114
产品分类天然产物 → 甾体化合物

相似结构搜索
InChIKey: VZYFPJYRFFDDKS-GJULNNQYSA-N
InChI=1S/C28H42O7/c1-15(2)13-22(32)35-25-24(34-17(4)30)23-21(8-7-18-14-19(31)9-11-26(18,23)5)28(33)12-10-20(16(3)29)27(25,28)6/h7,15,19-21,23-25,31,33H,8-14H2,1-6H3/t19-,
计算化学: 氢键受体数7.0氢键供体数2.0可旋转键数7.0

MSDS等安全信息

危险描述H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
防范说明P264+P280+P305+P351+P338+P337+P313
安全声明H303+H313+H333

上下游产品

a1dregeoside Aa1 p1dregeoside Ap1 01dregeoside A01 drevogenin P

合成工艺路线路线简述

📜[(3S,8R,9S,10R,11S,12S,13R,14S,17R)-17-Acetyl-11-Acetyloxy-3-[(2R,4S,5R,6R)-5-[(2S,4S,5R,6R)-5-[(2S,4R,5R,6R)-5-[(2S,3R,4S,5R,6R)-3,5-Dihydroxy-4-Methoxy-6-Methyloxan-2-Yl]Oxy-4-Methoxy-6-Methyloxan-2-Yl]Oxy-4-Methoxy-6-Methyloxan-2-Yl]Oxy-4-Methoxy-6-Methyloxan-2-Yl]Oxy-14-Hydroxy-10,13-Dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-Dodecahydrocyclopenta[a]Phenanthren-12-Yl] 3-Methylbutanoate 反应生成苦绳甙元 A
参考文献:Jin,Qiduan;Zhou,Qianlan;Mu,Quanzhang,Yunnan Chzhiu Yantszyu,10,(1988) N 4,S. 466-470
标题:Jin,Qiduan;Zhou,Qianlan;Mu,Quanzhang,Yunnan Chzhiu Yantszyu,10,(1988) N 4,S. 466-470