For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(5R,8S,9S,10R,13R,14S,17R)-1,1,3,5-tetradeuterio-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-4-one oxime
SpectraBase Compound ID 6jd7LPY7XJU
InChI InChI=1S/C27H45NO/c1-18(2)8-6-9-19(3)21-13-14-22-20-11-12-24-25(28-29)10-7-16-26(24,4)23(20)15-17-27(21,22)5/h7,10,18-24,29H,6,8-9,11-17H2,1-5H3/b28-25+/t19-,20+,21-,22+,23+,24+,26-,27-/m1/s1/i10D,16D2,24D
InChIKey MCRBWBDXYIXJFZ-DHUHVOAXSA-N
Mol Weight 403.7 g/mol
Molecular Formula C27H41D4NO
Exact Mass 403.375222 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID J8Wrp7yDpbP
Name (5R,8S,9S,10R,13R,14S,17R)-1,1,3,5-tetradeuterio-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-4-one oxime
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H41D4NO
InChI InChI=1S/C27H45NO/c1-18(2)8-6-9-19(3)21-13-14-22-20-11-12-24-25(28-29)10-7-16-26(24,4)23(20)15-17-27(21,22)5/h7,10,18-24,29H,6,8-9,11-17H2,1-5H3/b28-25+/t19-,20+,21-,22+,23+,24+,26-,27-/m1/s1/i10D,16D2,24D
InChIKey MCRBWBDXYIXJFZ-DHUHVOAXSA-N
Molecular Weight 403.687 g/mol
SMILES O\N=C\1[C@]2([C@](C(C=C1[D])([D])[D])([C@@]1([C@@]([C@]3([C@]([C@@]([C@@](CCCC(C)C)(C)[H])(CC3)[H])(C)CC1)[H])([H])CC2)[H])C)[D]
SPLASH splash10-0abc-9813000000-48487f22554e1813a7bd
Source of Spectrum KC-0-3248-27
Synonyms (5R,8S,9S,10R,13R,14S,17R)-1,1,3,5-tetradeuterio-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-4-one oxime (NE)-N-[(5R,8S,9S,10R,13R,14S,17R)-1,1,3,5-tetradeuterio-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-4-ylidene]hydroxylamine
Wiley ID 782648