| SpectraBase Spectrum ID |
CmIo7zYVUZ0 |
| Name |
(1S,2S,5R,8S,9S,10S,13R,14S,17R)-2-bromanyl-1,10,13-trimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one |
| Alternate Name(s) |
(1S,2S,5R,8S,9S,10S,13R,14S,17R)-2-bromo-1,10,13-trimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
(1S,2S,5R,8S,9S,10S,13R,14S,17R)-2-bromo-17-[(1R)-1,5-dimethylhexyl]-1,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H47BrO |
| InChI |
InChI=1S/C28H47BrO/c1-17(2)8-7-9-18(3)22-12-13-23-21-11-10-20-16-25(30)26(29)19(4)28(20,6)24(21)14-15-27(22,23)5/h17-24,26H,7-16H2,1-6H3/t18-,19-,20-,21+,22-,23+,24+,26+,27-,28+/m1/s1 |
| InChIKey |
AFLIHUHIYPVEGU-NVJXULBASA-N |
| Molecular Weight |
479.587 g/mol |
| SMILES |
[C@@]12([C@@]3([C@@]([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](CCCC(C)C)(C)[H])[H])[H])([H])CC[C@@]2(CC(=O)[C@]([C@]1(C)[H])(Br)[H])[H])[H])C |
| SPLASH |
splash10-0002-4309000000-8719bdcc91653e880321 |
| Source of Spectrum |
KC-1992-3108-13 |
| Wiley ID |
777378 |
![(1S,2S,5R,8S,9S,10S,13R,14S,17R)-2-bromanyl-1,10,13-trimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one](/api/spectrum/CmIo7zYVUZ0/structure.png?h=300&w=458 "(1S,2S,5R,8S,9S,10S,13R,14S,17R)-2-bromanyl-1,10,13-trimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one")
