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(3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(Z,2R)-5-propan-2-ylhept-5-en-2-yl]-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)-10,13-dimethyl-17-[(Z,2R)-5-propan-2-ylhept-5-en-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
SpectraBase Compound ID BovR7ckAunm
InChI InChI=1S/C29H46O/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/h7,10-11,19-20,23,25-27,30H,8-9,12-18H2,1-6H3/b21-7-/t20-,23+,25-,26+,27+,28+,29-/m1/s1
InChIKey XPRWWANUPMYKMF-HVEGQNEHSA-N
Mol Weight 410.7 g/mol
Molecular Formula C29H46O
Exact Mass 410.354866 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Pq4rxo23ec
Name (3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(Z,2R)-5-propan-2-ylhept-5-en-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
CAS Registry Number 29560-28-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H46O
InChI InChI=1S/C29H46O/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/h7,10-11,19-20,23,25-27,30H,8-9,12-18H2,1-6H3/b21-7-/t20-,23+,25-,26+,27+,28+,29-/m1/s1
InChIKey XPRWWANUPMYKMF-HVEGQNEHSA-N
Molecular Weight 410.686 g/mol
SMILES O[C@@]1(CC2=CC=C3[C@]4([C@]([C@@]([C@@](CC\C(=C\C)C(C)C)(C)[H])(CC4)[H])(C)CC[C@@]3([C@]2(CC1)C)[H])[H])[H]
SPLASH splash10-08fr-9346600000-17fe5577a8bc31da344e
Source of Spectrum H-62-108-0
Synonyms (3S,9S,10R,13R,14R,17R)-17-[(Z,1R)-4-isopropyl-1-methyl-hex-4-enyl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Wiley ID 1373906