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

*Links on SpectraBase are not permalinks.

(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
SpectraBase Compound ID 6J5StMWeD2b
InChI InChI=1S/C27H42O/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/h7,17,19,22-25H,6,8-16H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey ROLSKNVQSMYGNB-GYKMGIIDSA-N
Mol Weight 382.6 g/mol
Molecular Formula C27H42O
Exact Mass 382.323566 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 9lpop6PbXDt
Name (8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[A]phenanthren-3-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 382.323565971 u
Formula C27H42O
InChI InChI=1S/C27H42O/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/h7,17,19,22-25H,6,8-16H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey ROLSKNVQSMYGNB-GYKMGIIDSA-N
Molecular Weight 382.632 g/mol
SMILES [C@@]12([C@]([C@@]3(CCC=4[C@@]([C@]3(CC2)[H])(CCC(=O)C4)C)[H])(CC[C@@]1([C@@](CCC=C(C)C)(C)[H])[H])[H])C