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(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(1R)-1-methylpent-3-ynyl]-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-methylpent-3-ynyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
SpectraBase Compound ID DC7Wp21xfvO
InChI InChI=1S/C25H38O/c1-5-6-7-17(2)21-10-11-22-20-9-8-18-16-19(26)12-14-24(18,3)23(20)13-15-25(21,22)4/h8,17,19-23,26H,7,9-16H2,1-4H3/t17-,19+,20+,21-,22+,23+,24+,25-/m1/s1
InChIKey QIVWKKGISABDKH-NMQWMWRVSA-N
Mol Weight 354.6 g/mol
Molecular Formula C25H38O
Exact Mass 354.292266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4nhxEe4HhM7
Name (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(1R)-1-methylpent-3-ynyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
CAS Registry Number 63015-89-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H38O
InChI InChI=1S/C25H38O/c1-5-6-7-17(2)21-10-11-22-20-9-8-18-16-19(26)12-14-24(18,3)23(20)13-15-25(21,22)4/h8,17,19-23,26H,7,9-16H2,1-4H3/t17-,19+,20+,21-,22+,23+,24+,25-/m1/s1
InChIKey QIVWKKGISABDKH-NMQWMWRVSA-N
Molecular Weight 354.578 g/mol
SMILES O[C@]1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC=C2C1)[H])(CC[C@@]4([C@@](CC#CC)(C)[H])[H])[H])C)[H])C)[H]
SPLASH splash10-0udi-0039000000-1e3777e60844f5aaa2d0
Source of Spectrum H-60-480-0
Synonyms (3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-hex-4-yn-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 1345045