| SpectraBase Spectrum ID |
8bSmFqqNab1 |
| Name |
(3S,5S,8R,9R,10S,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-oxidanyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one |
| Alternate Name(s) |
(3S,5S,8R,9R,10S,13R,14R,17R)-17-[(1R)-1,5-dimethylhexyl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one
(3S,5S,8R,9R,10S,13R,14R,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one
11-Oxo-5.alpha.,8.alpha.,9.beta.,14.beta.-cholestan-3.beta.-ol |
| CAS Registry Number |
69483-52-9 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H46O2 |
| InChI |
InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)22-11-12-23-21-10-9-19-15-20(28)13-14-26(19,4)25(21)24(29)16-27(22,23)5/h17-23,25,28H,6-16H2,1-5H3/t18-,19+,20+,21-,22-,23-,25+,26+,27-/m1/s1 |
| InChIKey |
LWLSBJVWAPMGJG-JGLJGNCJSA-N |
| Molecular Weight |
402.663 g/mol |
| SMILES |
O[C@]1(CC[C@@]2([C@@]3(C(C[C@]4([C@@]([C@]3(CC[C@]2(C1)[H])[H])(CC[C@@]4([C@@](CCCC(C)C)(C)[H])[H])[H])C)=O)[H])C)[H] |
| SPLASH |
splash10-0pwl-5951100000-5e0568a6747c21034888 |
| Source of Spectrum |
O-15-44-3 |
| Wiley ID |
1370666 |
![(3S,5S,8R,9R,10S,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-oxidanyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one](/api/spectrum/8bSmFqqNab1/structure.png?h=300&w=458 "(3S,5S,8R,9R,10S,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-oxidanyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one")
