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9,11.alpha.-Epoxypregn-4-ene-3,20-dion-6.beta.-ol
SpectraBase Compound ID EqWIRUsy8fJ
InChI InChI=1S/C21H28O4/c1-11(22)13-4-5-14-15-9-17(24)16-8-12(23)6-7-20(16,3)21(15)18(25-21)10-19(13,14)2/h8,13-15,17-18,24H,4-7,9-10H2,1-3H3/t13-,14+,15+,17-,18-,19-,20+,21?/m1/s1
InChIKey BBANUQICNOCJTH-SBUWLKGLSA-N
Mol Weight 344.45 g/mol
Molecular Formula C21H28O4
Exact Mass 344.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G0XD8WLtQfd
Name 9,11.alpha.-Epoxypregn-4-ene-3,20-dion-6.beta.-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O4
InChI InChI=1S/C21H28O4/c1-11(22)13-4-5-14-15-9-17(24)16-8-12(23)6-7-20(16,3)21(15)18(25-21)10-19(13,14)2/h8,13-15,17-18,24H,4-7,9-10H2,1-3H3/t13-,14+,15+,17-,18-,19-,20+,21?/m1/s1
InChIKey BBANUQICNOCJTH-SBUWLKGLSA-N
Molecular Weight 344.451 g/mol
SMILES O[C@@]1(C[C@@]2(C3([C@@]4(C1=CC(CC4)=O)C)O[C@@]3(C[C@]1([C@]2(CC[C@@]1(C(=O)C)[H])[H])C)[H])[H])[H]
SPLASH splash10-0006-0029000000-1031287238882119de67
Source of Spectrum I-63-1126-0
Synonyms (4aS,5aR,6aS,7S,9aS,9bS,11R)-7-acetyl-11-hydroxy-4a,6a-dimethyl-4,4a,5a,6,6a,7,8,9,9a,9b,10,11-dodecahydrocyclopenta[7,8]phenanthro[4b,5-b]oxiren-2(3H)-one
Wiley ID 1338113