| SpectraBase Spectrum ID |
2CDMDAWJrLv |
| Name |
(2R,3S,5R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5-tris(oxidanyl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H46O4 |
| InChI |
InChI=1S/C27H46O4/c1-16(2)7-6-8-17(3)19-9-10-20-18-13-24(30)27(31)15-23(29)22(28)14-26(27,5)21(18)11-12-25(19,20)4/h16-23,28-29,31H,6-15H2,1-5H3/t17-,18+,19-,20+,21+,22-,23+,25-,26-,27+/m1/s1 |
| InChIKey |
KGDATIYAPDSOHB-IOJHRDNUSA-N |
| Molecular Weight |
434.661 g/mol |
| SMILES |
O[C@]12[C@](C[C@]([C@](C2)(O)[H])(O)[H])([C@]2(CC[C@@]3([C@](CC[C@]3([C@@]2(CC1=O)[H])[H])([C@@](CCCC(C)C)(C)[H])[H])C)[H])C |
| SPLASH |
splash10-00lr-0001900000-635919705b4f13fa1671 |
| Source of Spectrum |
F2-44-2617-17 |
| Synonyms |
(2R,3S,5R,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-2,3,5-trihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-one
(2R,3S,5R,8S,9S,10R,13R,14S,17R)-2,3,5-trihydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-one |
| Wiley ID |
1639293 |
