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(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(1R)-1,4,5-trimethylhex-5-enyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

View entire compound with spectra: 1 MS (GC)

(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(1R)-1,4,5-trimethylhex-5-enyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
SpectraBase Compound ID JgImB5FuKwp
InChI InChI=1S/C28H46O/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/h9,19-20,22-26,29H,1,7-8,10-17H2,2-6H3/t19?,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1
InChIKey IBAFJAONJZIYIT-QGOUJLTDSA-N
Mol Weight 398.7 g/mol
Molecular Formula C28H46O
Exact Mass 398.354866 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GT59aaZagRF
Name (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(1R)-1,4,5-trimethylhex-5-enyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H46O
InChI InChI=1S/C28H46O/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/h9,19-20,22-26,29H,1,7-8,10-17H2,2-6H3/t19?,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1
InChIKey IBAFJAONJZIYIT-QGOUJLTDSA-N
Molecular Weight 398.675 g/mol
SMILES O[C@]1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC=C2C1)[H])(CC[C@@]4([C@@](CCC(C(=C)C)C)(C)[H])[H])[H])C)[H])C)[H]
SPLASH splash10-0002-0039000000-c489656b55427a208907
Source of Spectrum H-62-1215-0
Synonyms (3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-5,6-dimethylhept-6-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Wiley ID 1368761