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(3S,5S,9R,10S,13R,14R,17R)-17-[(1R,4R)-4-(2-hydroxyethyl)-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

View entire compound with spectra: 2 MS (GC)

(3S,5S,9R,10S,13R,14R,17R)-17-[(1R,4R)-4-(2-hydroxyethyl)-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
SpectraBase Compound ID Ky9LOW15Vuw
InChI InChI=1S/C29H50O2/c1-19(2)21(14-17-30)7-6-20(3)25-10-11-26-24-9-8-22-18-23(31)12-15-28(22,4)27(24)13-16-29(25,26)5/h9,19-23,25-27,30-31H,6-8,10-18H2,1-5H3/t20-,21-,22+,23+,25-,26+,27+,28+,29-/m1/s1
InChIKey MOURMEURGVAVIH-UZSYLJJSSA-N
Mol Weight 430.7 g/mol
Molecular Formula C29H50O2
Exact Mass 430.381081 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EEcoFDuhpwv
Name (3S,5S,9R,10S,13R,14R,17R)-17-[(1R,4R)-4-(2-hydroxyethyl)-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
CAS Registry Number 109278-71-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H50O2
InChI InChI=1S/C29H50O2/c1-19(2)21(14-17-30)7-6-20(3)25-10-11-26-24-9-8-22-18-23(31)12-15-28(22,4)27(24)13-16-29(25,26)5/h9,19-23,25-27,30-31H,6-8,10-18H2,1-5H3/t20-,21-,22+,23+,25-,26+,27+,28+,29-/m1/s1
InChIKey MOURMEURGVAVIH-UZSYLJJSSA-N
Molecular Weight 430.717 g/mol
SMILES OCC[C@@](CC[C@]([C@@]1([C@@]2([C@](C3=CC[C@]4(C[C@](CC[C@@]4([C@]3(CC2)[H])C)(O)[H])[H])(CC1)[H])C)[H])(C)[H])(C(C)C)[H]
SPLASH splash10-001i-0070900000-ba63b41b45c1014bc388
Source of Spectrum F-42-4846-6
Synonyms 24S-3.beta.,29-dihydroxy-5a-stigmast-7-ene 24R-3.beta.,29-dihydroxy-5a-stigmast-7-ene Stigmast-7-ene-3,29-diol, (3.beta.,5.alpha.,24R)- (3S,5S,9R,10S,13R,14R,17R)-17-[(2R,5R)-5-(2-hydroxyethyl)-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (3S,5S,9R,10S,13R,14R,17R)-17-[(2R,5R)-5-(2-hydroxyethyl)-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Wiley ID 1381828