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(8S,9S,10R,13S,14S,17S)-17-acetyl-11-hydroxy-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
SpectraBase Compound ID 4nfkKCclWpH
InChI InChI=1S/C21H28O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h8-10,15-19,24H,4-7,11H2,1-3H3/t15-,16+,17-,18?,19+,20-,21+/m0/s1
InChIKey XYVVSFGOAQGVRE-AYHYENMDSA-N
Mol Weight 328.45 g/mol
Molecular Formula C21H28O3
Exact Mass 328.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 31GkkTxej5B
Name (8S,9S,10R,13S,14S,17S)-17-acetyl-11-hydroxy-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
CAS Registry Number 4224-37-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O3
InChI InChI=1S/C21H28O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h8-10,15-19,24H,4-7,11H2,1-3H3/t15-,16+,17-,18?,19+,20-,21+/m0/s1
InChIKey XYVVSFGOAQGVRE-AYHYENMDSA-N
Molecular Weight 328.452 g/mol
SMILES OC1[C@@]2([C@@]3(C(=CC(C=C3)=O)CC[C@]2([C@]2([C@](C1)([C@](CC2)(C(=O)C)[H])C)[H])[H])C)[H]
SPLASH splash10-00dl-3910000000-fee924e01b5ed789990e
Source of Spectrum KO-12-406-2
Synonyms (8S,9S,10R,13S,14S,17S)-17-ethanoyl-10,13-dimethyl-11-oxidanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one Delta-hop Pregna-1,4-diene-11-ol-3,20-dione Pregna-1,4-diene-3,20-dione, 11-hydroxy-, (11beta)-
Wiley ID 1326690