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

View entire compound with spectra: 1 MS (GC)

(3S,5S,9R,10S,13R)-17-((R)-1,5-Dimethyl-hexyl)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,9,10,11,12,13-dodecahydro-cyclopenta[a]phenanthren-15-one
SpectraBase Compound ID GTqS6oPkeQ7
InChI InChI=1S/C27H42O2/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/h16-20,22,28H,6-15H2,1-5H3/t18-,19+,20+,22+,26+,27-/m1/s1
InChIKey JKCRWUHGSSWFJV-XEQNOSHQSA-N
Mol Weight 398.6 g/mol
Molecular Formula C27H42O2
Exact Mass 398.318481 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1EbDhgr0Q8o
Name (3S,5S,9R,10S,13R)-17-((R)-1,5-Dimethyl-hexyl)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,9,10,11,12,13-dodecahydro-cyclopenta[a]phenanthren-15-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H42O2
InChI InChI=1S/C27H42O2/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/h16-20,22,28H,6-15H2,1-5H3/t18-,19+,20+,22+,26+,27-/m1/s1
InChIKey JKCRWUHGSSWFJV-XEQNOSHQSA-N
Molecular Weight 398.631 g/mol
SMILES O[C@]1(CC[C@@]2([C@]3(CC[C@]4(C(=C3CC[C@]2(C1)[H])C(=O)C=C4[C@@](CCCC(C)C)(C)[H])C)[H])C)[H]
SPLASH splash10-0002-0029000000-dce97f424ae2acb413fe
Source of Spectrum G2-3-373-2
Synonyms 3.beta.-Hydroxy-5.alpha.-cholest-8(14),16-dien-15-one (3S,5S,9R,10S,13R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,6,7,9,11,12-decahydrocyclopenta[a]phenanthren-15-one (3S,5S,9R,10S,13R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-oxidanyl-1,2,3,4,5,6,7,9,11,12-decahydrocyclopenta[a]phenanthren-15-one
Wiley ID 1661476