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

View entire compound with spectra: 1 MS (GC)

(8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-6,10,13-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
SpectraBase Compound ID 2riass0uvzj
InChI InChI=1S/C22H32O3/c1-13-11-16-17(20(3)8-5-15(24)12-19(13)20)6-9-21(4)18(16)7-10-22(21,25)14(2)23/h12-13,16-18,25H,5-11H2,1-4H3/t13?,16-,17+,18+,20-,21+,22+/m1/s1
InChIKey FRQMUZJSZHZSGN-NJMUXRGYSA-N
Mol Weight 344.5 g/mol
Molecular Formula C22H32O3
Exact Mass 344.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L1exNgdphY1
Name (8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-6,10,13-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
CAS Registry Number 520-85-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H32O3
InChI InChI=1S/C22H32O3/c1-13-11-16-17(20(3)8-5-15(24)12-19(13)20)6-9-21(4)18(16)7-10-22(21,25)14(2)23/h12-13,16-18,25H,5-11H2,1-4H3/t13?,16-,17+,18+,20-,21+,22+/m1/s1
InChIKey FRQMUZJSZHZSGN-NJMUXRGYSA-N
Molecular Weight 344.495 g/mol
SMILES O[C@]1([C@]2(CC[C@]3([C@]([C@@]2(CC1)[H])(CC(C=1[C@@]3(CCC(=O)C1)C)C)[H])[H])C)C(=O)C
SPLASH splash10-001i-0195000000-638113311d72cbcc0bc0
Source of Spectrum CJ-1992-0-0
Synonyms (8R,9S,10R,13S,14S,17R)-17-ethanoyl-6,10,13-trimethyl-17-oxidanyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one 17-hydroxy-6-methylpregn-4-ene-3,20-dione
Wiley ID 1338263