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

View entire compound with spectra: 1 MS (GC)

(3R,5S,7R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(1R)-1-methylpropyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
SpectraBase Compound ID 7Dx5iAwH0Nl
InChI InChI=1S/C23H40O2/c1-5-14(2)17-6-7-18-21-19(9-11-23(17,18)4)22(3)10-8-16(24)12-15(22)13-20(21)25/h14-21,24-25H,5-13H2,1-4H3/t14-,15+,16-,17-,18+,19+,20-,21+,22+,23-/m1/s1
InChIKey FJJYUWAAXREYNR-VEPRGJRUSA-N
Mol Weight 348.6 g/mol
Molecular Formula C23H40O2
Exact Mass 348.302831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B87FLClmISr
Name (3R,5S,7R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(1R)-1-methylpropyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H40O2
InChI InChI=1S/C23H40O2/c1-5-14(2)17-6-7-18-21-19(9-11-23(17,18)4)22(3)10-8-16(24)12-15(22)13-20(21)25/h14-21,24-25H,5-13H2,1-4H3/t14-,15+,16-,17-,18+,19+,20-,21+,22+,23-/m1/s1
InChIKey FJJYUWAAXREYNR-VEPRGJRUSA-N
Molecular Weight 348.571 g/mol
SMILES O[C@]1(C[C@@]2([C@@]([C@]3(CC[C@]4([C@]([C@@]3([C@@](C2)(O)[H])[H])(CC[C@@]4([C@@](CC)(C)[H])[H])[H])C)[H])(CC1)C)[H])[H]
SPLASH splash10-01q9-0009000000-d20a072780f71a411004
Source of Spectrum KC-0-1956-12
Synonyms (3R,5S,7R,8R,9S,10S,13R,14S,17R)-17-[(2R)-butan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
Wiley ID 784157