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(3S,4S,5S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-4-ethyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol

View entire compound with spectra: 1 MS (GC)

(3S,4S,5S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-4-ethyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
SpectraBase Compound ID LvmoLLdIPwP
InChI InChI=1S/C29H52O/c1-7-21-24-12-11-22-25-14-13-23(20(4)10-8-9-19(2)3)28(25,5)17-15-26(22)29(24,6)18-16-27(21)30/h19-27,30H,7-18H2,1-6H3/t20-,21+,22+,23-,24+,25+,26+,27+,28-,29+/m1/s1
InChIKey ZKNBHLOVMCSRLA-CNDFOAKRSA-N
Mol Weight 416.7 g/mol
Molecular Formula C29H52O
Exact Mass 416.401816 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4SdEBLUkoi
Name (3S,4S,5S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-4-ethyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H52O
InChI InChI=1S/C29H52O/c1-7-21-24-12-11-22-25-14-13-23(20(4)10-8-9-19(2)3)28(25,5)17-15-26(22)29(24,6)18-16-27(21)30/h19-27,30H,7-18H2,1-6H3/t20-,21+,22+,23-,24+,25+,26+,27+,28-,29+/m1/s1
InChIKey ZKNBHLOVMCSRLA-CNDFOAKRSA-N
Molecular Weight 416.734 g/mol
SMILES O[C@]1(CC[C@]2([C@]([C@@]1(CC)[H])(CC[C@]1([C@@]3(CC[C@]([C@@](CCCC(C)C)(C)[H])([C@@]3(C)CC[C@]21[H])[H])[H])[H])[H])C)[H]
SPLASH splash10-0296-0191600000-d6fa2480905113a9ed9b
Source of Spectrum K1-0-3698-10
Synonyms (3S,4S,5S,8S,9S,10R,13R,14S,17R)-4-ethyl-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
Wiley ID 1589278