Cas no 17205-76-4 ((8S,9S,10R,13S,14S,17R)-17-[(2S)-3,6-Dihydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one)
![(8S,9S,10R,13S,14S,17R)-17-[(2S)-3,6-Dihydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one structure](https://ossimg.kuujia.com/scimg/17500/17205-76-4x500.png)
17205-76-4 structure
Product Name:(8S,9S,10R,13S,14S,17R)-17-[(2S)-3,6-Dihydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CAS No:17205-76-4
MF:C27H44O3
MW:416.636468887329
CID:2658767
Update Time:2023-08-06
(8S,9S,10R,13S,14S,17R)-17-[(2S)-3,6-Dihydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one Chemical and Physical Properties
Names and Identifiers
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- 22,25-Dihydroxycholest-5-en-3-one
- (8S,9S,10R,13S,14S,17R)-17-[(2S)-3,6-Dihydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,4,7,8,9,11,12
- (8S,9S,10R,13S,14S,17R)-17-[(2S)-3,6-Dihydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
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- Inchi： 1S/C27H44O3/c1-17(24(29)12-13-25(2,3)30)21-8-9-22-20-7-6-18-16-19(28)10-14-26(18,4)23(20)11-15-27(21,22)5/h6,17,20-24,29-30H,7-16H2,1-5H3/t17-,20-,21+,22-,23-,24?,26-,27+/m0/s1
- InChI Key： KDRBXMDKELHOAB-LIVFNVCZSA-N
- SMILES： OC(CCC(C)(C)O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4CC(CC[C@]4(C)[C@H]3CC[C@@]21C)=O
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 30
- Rotatable Bond Count: 5
- Complexity: 709
- Topological Polar Surface Area: 57.5
(8S,9S,10R,13S,14S,17R)-17-[(2S)-3,6-Dihydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one Related Literature
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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