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1.alpha.,11.alpha.-Epoxy-5.beta.-pregnane-3,20-dione
SpectraBase Compound ID CgodaJpYjXI
InChI InChI=1S/C21H30O3/c1-11(22)15-6-7-16-14-5-4-12-8-13(23)9-18-21(12,3)19(14)17(24-18)10-20(15,16)2/h12,14-19H,4-10H2,1-3H3/t12-,14+,15-,16+,17-,18+,19?,20-,21-/m1/s1
InChIKey FMLDUHIBQBNODC-RUMSUEJTSA-N
Mol Weight 330.47 g/mol
Molecular Formula C21H30O3
Exact Mass 330.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ci5lp92hRpv
Name 1.alpha.,11.alpha.-Epoxy-5.beta.-pregnane-3,20-dione
Alternate Name(s) (3aS,4aR,5aS,6S,8aS,8bS,10aR,10bS)-6-acetyl-5a,10b-dimethylhexadecahydro-2H-cyclopenta[1,2]phenanthro[4,5-bcd]furan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O3
InChI InChI=1S/C21H30O3/c1-11(22)15-6-7-16-14-5-4-12-8-13(23)9-18-21(12,3)19(14)17(24-18)10-20(15,16)2/h12,14-19H,4-10H2,1-3H3/t12-,14+,15-,16+,17-,18+,19?,20-,21-/m1/s1
InChIKey FMLDUHIBQBNODC-RUMSUEJTSA-N
Molecular Weight 330.468 g/mol
SMILES [C@@]12([C@]([C@@]3(CC[C@]4([C@]5(C3[C@@](C2)(O[C@]5(CC(=O)C4)[H])[H])C)[H])[H])(CC[C@@]1(C(=O)C)[H])[H])C
SPLASH splash10-0536-9617000000-683a364f36e9f75015a9
Source of Spectrum Y1-46-4238-14
Wiley ID 1622508