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(3S,10S,13R,14R,17R)-10,13-dimethyl-17-[(1R,4S)-1,4,5-trimethylhexyl]-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

View entire compound with spectra: 1 MS (GC)

(3S,10S,13R,14R,17R)-10,13-dimethyl-17-[(1R,4S)-1,4,5-trimethylhexyl]-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
SpectraBase Compound ID 42FxaSiv6J8
InChI InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h18-22,24-25,29H,7-17H2,1-6H3/t19-,20+,21?,22-,24+,25-,27-,28+/m0/s1
InChIKey RFSQQROZMSPZKI-DFQNLCSFSA-N
Mol Weight 400.7 g/mol
Molecular Formula C28H48O
Exact Mass 400.370516 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2zLkRVXqA4I
Name (3S,10S,13R,14R,17R)-10,13-dimethyl-17-[(1R,4S)-1,4,5-trimethylhexyl]-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H48O
InChI InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h18-22,24-25,29H,7-17H2,1-6H3/t19-,20+,21?,22-,24+,25-,27-,28+/m0/s1
InChIKey RFSQQROZMSPZKI-DFQNLCSFSA-N
Molecular Weight 400.691 g/mol
SMILES O[C@]1(CC[C@]2(C(C1)CCC=1[C@@]3(CC[C@]([C@@](CC[C@](C)(C(C)C)[H])(C)[H])([C@@]3(C)CCC21)[H])[H])C)[H]
SPLASH splash10-0udi-0055900000-fde87fda71237095fc4a
Source of Spectrum X4-22-185-0
Synonyms (3S,10S,13R,14R,17R)-17-[(2R,5S)-5,6-dimethylheptan-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 1585929