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

*Links on SpectraBase are not permalinks.

(3S,10S,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol

View entire compound with spectra: 1 MS (GC)

(3S,10S,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
SpectraBase Compound ID 9hb9L4bpoAj
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/h10,14,18-21,23-24,28H,6-9,11-13,15-17H2,1-5H3/t19-,20?,21+,23-,24+,26+,27-/m1/s1
InChIKey MZGLFGZLQGCELA-QCVBKAFJSA-N
Mol Weight 384.6 g/mol
Molecular Formula C27H44O
Exact Mass 384.339216 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 Cq4PzBHXPu9
Name (3S,10S,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
CAS Registry Number 53368-67-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H44O
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/h10,14,18-21,23-24,28H,6-9,11-13,15-17H2,1-5H3/t19-,20?,21+,23-,24+,26+,27-/m1/s1
InChIKey MZGLFGZLQGCELA-QCVBKAFJSA-N
Molecular Weight 384.648 g/mol
SMILES O[C@]1(CC[C@]2(C(C1)CC=C1[C@@]3(CC[C@]([C@@](CCCC(C)C)(C)[H])([C@@]3(C)CC=C21)[H])[H])C)[H]
SPLASH splash10-001i-0069000000-baa84debe12c4004ca7c
Source of Spectrum X4-20-586-0
Synonyms (3S,10S,13R,14R,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,5,6,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Wiley ID 1585761