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

*Links on SpectraBase are not permalinks.

1-[(3S,8S,9S,10R,13S,14R,17S)-10,13-dimethyl-3-oxidanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone

View entire compound with spectra: 1 MS (GC)

1-[(3S,8S,9S,10R,13S,14R,17S)-10,13-dimethyl-3-oxidanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
SpectraBase Compound ID 5O5r5aMsbu
InChI InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19,23H,5-12H2,1-3H3/t15-,16-,17+,18+,19-,20-,21+/m0/s1
InChIKey ORNBQBCIOKFOEO-WMKCGOMXSA-N
Mol Weight 316.5 g/mol
Molecular Formula C21H32O2
Exact Mass 316.24023 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 Lwx1GZmZkhc
Name 1-[(3S,8S,9S,10R,13S,14R,17S)-10,13-dimethyl-3-oxidanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O2
InChI InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19,23H,5-12H2,1-3H3/t15-,16-,17+,18+,19-,20-,21+/m0/s1
InChIKey ORNBQBCIOKFOEO-WMKCGOMXSA-N
Molecular Weight 316.485 g/mol
SMILES O[C@]1(CC[C@@]2([C@]3(CC[C@]4([C@@]([C@@]3(CC=C2C1)[H])(CC[C@@]4(C(=O)C)[H])[H])C)[H])C)[H]
SPLASH splash10-014i-4954000000-cb3c09b216a69c164006
Source of Spectrum G-59-2702-0
Synonyms 1-[(3S,8S,9S,10R,13S,14R,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
Wiley ID 748753