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

*Links on SpectraBase are not permalinks.

(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(Z,1R)-1,4,5-trimethylhex-3-enyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

View entire compound with spectra: 1 MS (GC)

(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(Z,1R)-1,4,5-trimethylhex-3-enyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
SpectraBase Compound ID 3ekGc5EHn5a
InChI InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7,9,18,20,22-26,29H,8,10-17H2,1-6H3/b19-7-/t20-,22+,23+,24-,25+,26+,27+,28-/m1/s1
InChIKey CRJHBQFJDHZHGO-MYIDOQBCSA-N
Mol Weight 398.7 g/mol
Molecular Formula C28H46O
Exact Mass 398.354866 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 DTJ3tUZSDfM
Name (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(Z,1R)-1,4,5-trimethylhex-3-enyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
CAS Registry Number 82949-88-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H46O
InChI InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7,9,18,20,22-26,29H,8,10-17H2,1-6H3/b19-7-/t20-,22+,23+,24-,25+,26+,27+,28-/m1/s1
InChIKey CRJHBQFJDHZHGO-MYIDOQBCSA-N
Molecular Weight 398.675 g/mol
SMILES O[C@]1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC=C2C1)[H])(CC[C@@]4([C@@](C\C=C/(C(C)C)C)(C)[H])[H])[H])C)[H])C)[H]
SPLASH splash10-00dj-0096000000-10c43cae44da6ce20925
Source of Spectrum J-47-4303-0
Synonyms (3S,8S,9S,10R,13R,14S,17R)-17-[(Z,2R)-5,6-dimethylhept-4-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Wiley ID 1368754