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(3S,10R,13R)-10,13-dimethyl-17-[(Z,1R,4S)-1,4,5-trimethylhept-5-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,10R,13R)-10,13-dimethyl-17-[(Z,1R,4S)-1,4,5-trimethylhept-5-enyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
SpectraBase Compound ID KU6LC8k4qf0
InChI InChI=1S/C29H48O/c1-7-19(2)20(3)8-9-21(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h7,10,20-21,23-27,30H,8-9,11-18H2,1-6H3/b19-7-/t20-,21+,23-,24?,25?,26?,27?,28-,29+/m0/s1
InChIKey MMFZLVUIFVOBLE-OFDTWEADSA-N
Mol Weight 412.7 g/mol
Molecular Formula C29H48O
Exact Mass 412.370516 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ffd3coC0uJc
Name (3S,10R,13R)-10,13-dimethyl-17-[(Z,1R,4S)-1,4,5-trimethylhept-5-enyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
CAS Registry Number 110012-19-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H48O
InChI InChI=1S/C29H48O/c1-7-19(2)20(3)8-9-21(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h7,10,20-21,23-27,30H,8-9,11-18H2,1-6H3/b19-7-/t20-,21+,23-,24?,25?,26?,27?,28-,29+/m0/s1
InChIKey MMFZLVUIFVOBLE-OFDTWEADSA-N
Molecular Weight 412.702 g/mol
SMILES O[C@]1(CC[C@@]2(C3CC[C@]4(C(C3CC=C2C1)CCC4[C@@](CC[C@@](\C(=C/C)C)(C)[H])(C)[H])C)C)[H]
SPLASH splash10-03di-4096600000-af7ffa115c14617cf6ef
Source of Spectrum J-52-4520-25
Synonyms (3S,10R,13R)-17-[(Z,2R,5S)-5,6-dimethyloct-6-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 1374791