Cas no 481-22-1 ((6R)-6-[(5S,8R,9S,10S,13R,14S,17R)-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptanoic acid)
![(6R)-6-[(5S,8R,9S,10S,13R,14S,17R)-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptanoic acid structure](https://ossimg.kuujia.com/scimg/500/481-22-1x500.png)
481-22-1 structure
Product Name:(6R)-6-[(5S,8R,9S,10S,13R,14S,17R)-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptanoic acid
CAS No:481-22-1
MF:C27H46O2
MW:402.652948856354
CID:2665838
Update Time:2023-08-06
(6R)-6-[(5S,8R,9S,10S,13R,14S,17R)-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptanoic acid Chemical and Physical Properties
Names and Identifiers
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- 5β-Cholestanoic acid
- coprostanic acid
- 5b-cholestanoic acid
- (6R)-6-[(5S,8R,9S,10S,13R,14S,17R)-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1
- (6R)-6-[(5S,8R,9S,10S,13R,14S,17R)-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptanoic acid
-
- Inchi： 1S/C27H46O2/c1-18(8-7-9-19(2)25(28)29)22-13-14-23-21-12-11-20-10-5-6-16-26(20,3)24(21)15-17-27(22,23)4/h18-24H,5-17H2,1-4H3,(H,28,29)/t18-,19?,20+,21+,22-,23+,24+,26+,27-/m1/s1
- InChI Key： COZFVHUNJZMFQL-QJUJILNVSA-N
- SMILES： OC(C(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C)=O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 29
- Rotatable Bond Count: 6
- Complexity: 599
- Topological Polar Surface Area: 37.3
(6R)-6-[(5S,8R,9S,10S,13R,14S,17R)-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptanoic acid Related Literature
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Mei Zhang,Jingjing Guo,Tingting Liu,Zhanyu He,Majeed Irfan,Zujin Zhao,Zhuo Zeng J. Mater. Chem. C, 2020,8, 14919-14924
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Xingjie Wu,Linzhu Zhou,Yue Su,Chang-Ming Dong J. Mater. Chem. B, 2016,4, 2142-2152
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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