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(3S,9S,10R,13R,14R,17R)-17-[(1R)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol

View entire compound with spectra: 1 MS (GC)

(3S,9S,10R,13R,14R,17R)-17-[(1R)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
SpectraBase Compound ID BwmJlrYptoC
InChI InChI=1S/C29H48O/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/h10-11,19-21,23,25-27,30H,7-9,12-18H2,1-6H3/t20-,21?,23+,25-,26+,27+,28+,29-/m1/s1
InChIKey ARVGMISWLZPBCH-ZZBMXXMNSA-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 2OQfYBoLcYC
Name (3S,9S,10R,13R,14R,17R)-17-[(1R)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Alternate Name(s) (3S,9S,10R,13R,14R,17R)-17-[(2R)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol 7-Dehydrositosterol EINECS 208-300-5
CAS Registry Number 521-04-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H48O
InChI InChI=1S/C29H48O/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/h10-11,19-21,23,25-27,30H,7-9,12-18H2,1-6H3/t20-,21?,23+,25-,26+,27+,28+,29-/m1/s1
InChIKey ARVGMISWLZPBCH-ZZBMXXMNSA-N
Molecular Weight 412.702 g/mol
SMILES O[C@@]1(CC2=CC=C3[C@]4([C@]([C@@]([C@@](CCC(C(C)C)CC)(C)[H])(CC4)[H])(C)CC[C@@]3([C@]2(CC1)C)[H])[H])[H]
SPLASH splash10-0fdk-0269000000-de63ca0545509514fb84
Source of Spectrum B-43-1727-0
Wiley ID 1374846