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(8R,9S,10R,13S,14S,17S)-2-benzyl-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one

View entire compound with spectra: 1 MS (GC)

(8R,9S,10R,13S,14S,17S)-2-benzyl-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one
SpectraBase Compound ID 6uoflheHIre
InChI InChI=1S/C26H34O2/c1-25-13-12-22-20(21(25)10-11-24(25)28)9-8-19-15-23(27)18(16-26(19,22)2)14-17-6-4-3-5-7-17/h3-7,15,18,20-22,24,28H,8-14,16H2,1-2H3/t18?,20-,21-,22-,24-,25-,26-/m0/s1
InChIKey QCVXGFGCPPMXJK-RTZZXHFUSA-N
Mol Weight 378.6 g/mol
Molecular Formula C26H34O2
Exact Mass 378.25588 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GeC7utAs7gP
Name (8R,9S,10R,13S,14S,17S)-2-benzyl-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 378.255880333 u
Formula C26H34O2
GC Column HP-5
InChI InChI=1S/C26H34O2/c1-25-13-12-22-20(21(25)10-11-24(25)28)9-8-19-15-23(27)18(16-26(19,22)2)14-17-6-4-3-5-7-17/h3-7,15,18,20-22,24,28H,8-14,16H2,1-2H3/t18?,20-,21-,22-,24-,25-,26-/m0/s1
InChIKey QCVXGFGCPPMXJK-RTZZXHFUSA-N
Instrument Name HP 6890N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201607072
Molecular Weight 378.556 g/mol
Quality 65
Reported Formula C26H34O2
SMILES O[C@]1(CC[C@@]2([C@@]1(CC[C@]1([C@]2(CCC=2[C@@]1(CC(C(C2)=O)CC1=CC=CC=C1)C)[H])[H])C)[H])[H]
SPLASH splash10-004i-4229000000-cf350cc1d2fcab6488ea
Sample Comments Major diastereoisomer
Source of Spectrum ACI-55-SM12-10a (DOI: 10.1002/anie.201607072)
Wiley ID 1899284