For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Allopregnane-7.alpha.,11.alpha.-diol-3,20-dione

View entire compound with spectra: 1 NMR

Allopregnane-7.alpha.,11.alpha.-diol-3,20-dione
SpectraBase Compound ID 5aXzLCSL0U9
InChI InChI=1S/C21H32O4/c1-11(22)14-4-5-15-18-16(24)9-12-8-13(23)6-7-20(12,2)19(18)17(25)10-21(14,15)3/h12,14-19,24-25H,4-10H2,1-3H3
InChIKey OUDYGQOKBCRPKZ-UHFFFAOYSA-N
Mol Weight 348.5 g/mol
Molecular Formula C21H32O4
Exact Mass 348.23006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID F8mD6rtdco5
Name Allopregnane-7.alpha.,11.alpha.-diol-3,20-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 348.230059506 u
Formula C21H32O4
InChI InChI=1S/C21H32O4/c1-11(22)14-4-5-15-18-16(24)9-12-8-13(23)6-7-20(12,2)19(18)17(25)10-21(14,15)3/h12,14-19,24-25H,4-10H2,1-3H3
InChIKey OUDYGQOKBCRPKZ-UHFFFAOYSA-N
Molecular Weight 348.483 g/mol
SMILES C1(CCC2(C(C1)CC(C1C2C(CC2(C1CCC2C(=O)C)C)O)O)C)=O