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(1-alpha,5-alpha,11-alpha,17-beta)-11,17-dihydroxy-1-methylandrostane-3-one
SpectraBase Compound ID 8S7VnPaOhQJ
InChI InChI=1S/C20H32O4/c1-10-6-12(21)7-11-8-14(22)17-13-4-5-16(24)19(13,2)9-15(23)18(17)20(10,11)3/h10-11,13-18,22-24H,4-9H2,1-3H3/t10-,11+,13-,14+,15+,16-,17+,18-,19-,20-/m0/s1
InChIKey DOZSRLPPOJAUQX-IFKZQACPSA-N
Mol Weight 336.5 g/mol
Molecular Formula C20H32O4
Exact Mass 336.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 29Rkhv0Drv5
Name (1-alpha,5-alpha,11-alpha,17-beta)-11,17-dihydroxy-1-methylandrostane-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32O4
InChI InChI=1S/C20H32O4/c1-10-6-12(21)7-11-8-14(22)17-13-4-5-16(24)19(13,2)9-15(23)18(17)20(10,11)3/h10-11,13-18,22-24H,4-9H2,1-3H3/t10-,11+,13-,14+,15+,16-,17+,18-,19-,20-/m0/s1
InChIKey DOZSRLPPOJAUQX-IFKZQACPSA-N
Literature Reference DOI 10.1002/cbdv.200590019
Molecular Weight 336.472 g/mol
SMILES O[C@]1([C@]2([C@@]3(CC[C@@]([C@]3(C[C@]([C@@]2([C@]2([C@](CC(C[C@@]2(C1)[H])=O)(C)[H])C)[H])(O)[H])C)(O)[H])[H])[H])[H]
SPLASH splash10-0a4i-9200000000-e6f151aa631f09a42033
Source of Spectrum CBD-2-399-8
Synonyms (1S,5S,7R,8S,9S,10S,11R,13S,14S,17S)-7,11,17-trihydroxy-1,10,13-trimethylhexadecahydro-3H-cyclopenta[a]phenanthren-3-one
Wiley ID 1792478