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(3S,8S,9S,10R,13S,14S,16S,17R)-17-((R)-1,5-Dimethyl-hexyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol

View entire compound with spectra: 1 MS (GC)

(3S,8S,9S,10R,13S,14S,16S,17R)-17-((R)-1,5-Dimethyl-hexyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol
SpectraBase Compound ID dXlENs2iZO
InChI InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)25-24(29)16-23-21-10-9-19-15-20(28)11-13-26(19,4)22(21)12-14-27(23,25)5/h9,17-18,20-25,28-29H,6-8,10-16H2,1-5H3/t18-,20+,21-,22+,23+,24+,25+,26+,27+/m1/s1
InChIKey IXRAQYMAEVFORF-LBQSOJHBSA-N
Mol Weight 402.7 g/mol
Molecular Formula C27H46O2
Exact Mass 402.349781 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F3l2xWObJvz
Name (3S,8S,9S,10R,13S,14S,16S,17R)-17-((R)-1,5-Dimethyl-hexyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H46O2
InChI InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)25-24(29)16-23-21-10-9-19-15-20(28)11-13-26(19,4)22(21)12-14-27(23,25)5/h9,17-18,20-25,28-29H,6-8,10-16H2,1-5H3/t18-,20+,21-,22+,23+,24+,25+,26+,27+/m1/s1
InChIKey IXRAQYMAEVFORF-LBQSOJHBSA-N
Molecular Weight 402.663 g/mol
SMILES O[C@]1(CC[C@]2(C(=CC[C@]3([C@]4([C@@]([C@]([C@](C4)(O)[H])([C@@](CCCC(C)C)(C)[H])[H])(CC[C@]23[H])C)[H])[H])C1)C)[H]
SPLASH splash10-0ue9-0059100000-836a4a353e0c5e45811e
Source of Spectrum G2-3-372-5
Synonyms Cholest-5-ene-3.beta.,16.beta.-diol (3S,8S,9S,10R,13S,14S,16S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol
Wiley ID 1661485