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(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-5-methylhexan-2-yl]-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,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-5-methylhexan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
SpectraBase Compound ID Avv9jvEgS99
InChI InChI=1S/C26H46O/c1-17(2)6-7-18(3)22-10-11-23-21-9-8-19-16-20(27)12-14-25(19,4)24(21)13-15-26(22,23)5/h17-24,27H,6-16H2,1-5H3/t18-,19+,20+,21+,22-,23+,24+,25+,26-/m1/s1
InChIKey ZQDSXDIYKPVJHY-DRYQTVNKSA-N
Mol Weight 374.7 g/mol
Molecular Formula C26H46O
Exact Mass 374.354866 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AmEJLVcao1r
Name (3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-5-methylhexan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
CAS Registry Number 69977-26-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H46O
InChI InChI=1S/C26H46O/c1-17(2)6-7-18(3)22-10-11-23-21-9-8-19-16-20(27)12-14-25(19,4)24(21)13-15-26(22,23)5/h17-24,27H,6-16H2,1-5H3/t18-,19+,20+,21+,22-,23+,24+,25+,26-/m1/s1
InChIKey ZQDSXDIYKPVJHY-DRYQTVNKSA-N
Molecular Weight 374.653 g/mol
SMILES O[C@]1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC[C@]2(C1)[H])[H])(CC[C@@]4([C@@](CCC(C)C)(C)[H])[H])[H])C)[H])C)[H]
SPLASH splash10-053r-4597000000-0dff9512361ee53af051
Source of Spectrum H-62-108-0
Synonyms (3S,5S,8R,9S,10S,13R,14S,17R)-17-[(1R)-1,4-dimethylpentyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
Wiley ID 1356996