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(3S,5S,10S,13R,14R,17R)-17-[(E,1R,4R)-4-ethyl-1,5-dimethyl-hex-2-enyl]-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: 3 MS (GC)

(3S,5S,10S,13R,14R,17R)-17-[(E,1R,4R)-4-ethyl-1,5-dimethyl-hex-2-enyl]-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 21IA2CasTGQ
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/h8-9,19-23,25-26,30H,7,10-18H2,1-6H3/b9-8+/t20-,21+,22+,23+,25-,26+,28+,29-/m1/s1
InChIKey FQJAPGMYXUZOEN-IAJMQBSWSA-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 L0wikHi0YKo
Name (3S,5S,10S,13R,14R,17R)-17-[(E,1R,4R)-4-ethyl-1,5-dimethyl-hex-2-enyl]-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 85733-80-8
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/h8-9,19-23,25-26,30H,7,10-18H2,1-6H3/b9-8+/t20-,21+,22+,23+,25-,26+,28+,29-/m1/s1
InChIKey FQJAPGMYXUZOEN-IAJMQBSWSA-N
Molecular Weight 412.702 g/mol
SMILES O[C@]1(CC[C@@]2(C3=C([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](\C=C\[C@@](C(C)C)(CC)[H])(C)[H])[H])[H])CC[C@]2(C1)[H])C)[H]
SPLASH splash10-06si-9741200000-8857149b8828e3606948
Source of Spectrum SD-1992-0-0
Synonyms Stigmasta-8,22-dien-3-ol, (3.beta.,5.alpha.,22E)- (22E,24R)-24-ethyl-5a-cholesta-8,22-dien-3b-ol (22E,24S)-24-Ethyl-5.alpha.-cholesta-8,22-dien-3.beta.-ol (22E,24S)-24-ethyl-5a-cholesta-8,22-dien-3b-ol (3S,5S,10S,13R,14R,17R)-17-[(E,2R,5R)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (3S,5S,10S,13R,14R,17R)-17-[(E,2R,5R)-5-ethyl-6-methylhept-3-en-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 161386