SpectraBase Spectrum ID |
B1dPszDIdeK |
Name |
(5R,8S,9S,10S,13R,14S,17R)-2,4,4-Trideuterio-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthren-3-one |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C27H41D3O |
InChI |
InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h13,15,18-20,22-25H,6-12,14,16-17H2,1-5H3/t19-,20-,22+,23-,24+,25+,26+,27-/m1/s1/i13D,17D2 |
InChIKey |
IIPHPVVRBVBREZ-XIBWVVKJSA-N |
Molecular Weight |
387.666 g/mol |
SMILES |
[C@@]12([C@@](C(C(=O)C(=C2)[D])([D])[D])(CC[C@]2([C@]3([C@]([C@@]([C@@](CCCC(C)C)(C)[H])(CC3)[H])(C)CC[C@]12[H])[H])[H])[H])C |
SPLASH |
splash10-01ti-1902000000-15fad015a6d5d7169602 |
Source of Spectrum |
KC-1992-3108-11 |
Synonyms |
(5R,8S,9S,10S,13R,14S,17R)-2,4,4-Trideuterio-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthren-3-one |
Wiley ID |
777375 |