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(3S,5S,9R,10S,13R,17R)-17-((R)-1,5-Dimethyl-hexyl)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,9,10,11,12,13,16,17-tetradecahydro-cyclopenta[a]phenanthren-15-one

View entire compound with spectra: 2 MS (GC)

(3S,5S,9R,10S,13R,17R)-17-((R)-1,5-Dimethyl-hexyl)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,9,10,11,12,13,16,17-tetradecahydro-cyclopenta[a]phenanthren-15-one
SpectraBase Compound ID HqLKqsE9BQu
InChI InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)23-16-24(29)25-21-10-9-19-15-20(28)11-13-26(19,4)22(21)12-14-27(23,25)5/h17-20,22-23,28H,6-16H2,1-5H3/t18-,19+,20+,22+,23-,26+,27-/m1/s1
InChIKey LINVVMHRTUSXHL-GGVPDPBRSA-N
Mol Weight 400.6 g/mol
Molecular Formula C27H44O2
Exact Mass 400.334131 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7UXwnaxVARx
Name (3S,5S,9R,10S,13R,17R)-17-((R)-1,5-Dimethyl-hexyl)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,9,10,11,12,13,16,17-tetradecahydro-cyclopenta[a]phenanthren-15-one
CAS Registry Number 50673-97-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H44O2
InChI InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)23-16-24(29)25-21-10-9-19-15-20(28)11-13-26(19,4)22(21)12-14-27(23,25)5/h17-20,22-23,28H,6-16H2,1-5H3/t18-,19+,20+,22+,23-,26+,27-/m1/s1
InChIKey LINVVMHRTUSXHL-GGVPDPBRSA-N
Molecular Weight 400.647 g/mol
SMILES O[C@@]1(C[C@@]2(CCC3=C4[C@@]([C@@]([C@@](CCCC(C)C)(C)[H])(CC4=O)[H])(CC[C@@]3([C@]2(CC1)C)[H])C)[H])[H]
SPLASH splash10-1000-5952300000-21f1762b1d51bc7c21a4
Source of Spectrum SD-1981-0-0
Synonyms (3beta,5alpha)-3-hydroxycholest-8(14)-en-15-one 3.beta.-Hydroxy-5.alpha.-cholest-8(14)-en-15-one (3S,5S,9R,10S,13R,17R)-17-[(1R)-1,5-dimethylhexyl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-15-one (3S,5S,9R,10S,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-oxidanyl-1,2,3,4,5,6,7,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-15-one (3S,5S,9R,10S,13R,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,6,7,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-15-one Cholest-8(14)-en-15-one, 3-hydroxy-, (3beta,5alpha)- Cholest-8(14)-en-3-ol-15-one Colestolona Colestolone Colestolonum CL 274,471
Wiley ID 1369692