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(8R,9S,10R,13S,14S,17S)-2-butyl-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-butyl-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 5Lkhrfq7ocq
InChI InChI=1S/C23H36O2/c1-4-5-6-15-14-23(3)16(13-20(15)24)7-8-17-18-9-10-21(25)22(18,2)12-11-19(17)23/h13,15,17-19,21,25H,4-12,14H2,1-3H3/t15?,17-,18-,19-,21-,22-,23-/m0/s1
InChIKey JWDHKFUHIYNORA-BKWDCXPVSA-N
Mol Weight 344.5 g/mol
Molecular Formula C23H36O2
Exact Mass 344.27153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GmXItr6gtWU
Name (8R,9S,10R,13S,14S,17S)-2-butyl-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 344.271530397 u
Formula C23H36O2
GC Column HP-5
InChI InChI=1S/C23H36O2/c1-4-5-6-15-14-23(3)16(13-20(15)24)7-8-17-18-9-10-21(25)22(18,2)12-11-19(17)23/h13,15,17-19,21,25H,4-12,14H2,1-3H3/t15?,17-,18-,19-,21-,22-,23-/m0/s1
InChIKey JWDHKFUHIYNORA-BKWDCXPVSA-N
Instrument Name HP 6890N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201607072
Molecular Weight 344.539 g/mol
Quality 32
Reported Formula C23H36O2
SMILES O[C@]1(CC[C@@]2([C@@]1(CC[C@]1([C@]2(CCC=2[C@@]1(CC(C(C2)=O)CCCC)C)[H])[H])C)[H])[H]
SPLASH splash10-000i-0190000000-79ba4903b959d89990d2
Sample Comments Major diastereoisomer
Source of Spectrum ACI-55-SM12-10c (DOI: 10.1002/anie.201607072)
Wiley ID 1899286