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(3S,5S,10S,13R,14R,17R)-17-[(1R,4S)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

View entire compound with spectra: 1 MS (GC)

(3S,5S,10S,13R,14R,17R)-17-[(1R,4S)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
SpectraBase Compound ID Jv3lWRSErrr
InChI InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(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/h19-23,25-26,30H,7-18H2,1-6H3/t20-,21+,22+,23+,25-,26+,28+,29-/m1/s1
InChIKey YCBMXIIYHMNHDU-IXYHWDSJSA-N
Mol Weight 414.7 g/mol
Molecular Formula C29H50O
Exact Mass 414.386166 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9PcrK0L5oc2
Name (3S,5S,10S,13R,14R,17R)-17-[(1R,4S)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
CAS Registry Number 37936-73-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H50O
InChI InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(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/h19-23,25-26,30H,7-18H2,1-6H3/t20-,21+,22+,23+,25-,26+,28+,29-/m1/s1
InChIKey YCBMXIIYHMNHDU-IXYHWDSJSA-N
Molecular Weight 414.718 g/mol
SMILES O[C@]1(CC[C@@]2(C3=C([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](CC[C@@](C(C)C)(CC)[H])(C)[H])[H])[H])CC[C@]2(C1)[H])C)[H]
SPLASH splash10-03di-0021900000-ec6eff36076ba3e66c6a
Source of Spectrum KC-1983-152-0
Synonyms (3S,5S,10S,13R,14R,17R)-17-[(2R,5S)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Wiley ID 1375797