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

*Links on SpectraBase are not permalinks.

Androsta-1,4-dien-3-one, 6,17-dihydroxy-, (6.beta.,17.beta)-, 6-acetate

View entire compound with spectra: 1 NMR

Androsta-1,4-dien-3-one, 6,17-dihydroxy-, (6.beta.,17.beta)-, 6-acetate
SpectraBase Compound ID I8LKU2rNzUA
InChI InChI=1S/C21H28O4/c1-12(22)25-18-11-14-15-4-5-19(24)21(15,3)9-7-16(14)20(2)8-6-13(23)10-17(18)20/h6,8,10,14-16,18-19,24H,4-5,7,9,11H2,1-3H3
InChIKey OPYKHVFZSIUWLD-UHFFFAOYSA-N
Mol Weight 344.45 g/mol
Molecular Formula C21H28O4
Exact Mass 344.198759 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 CfMCVGvEGnL
Name Androsta-1,4-dien-3-one, 6,17-dihydroxy-, (6.beta.,17.beta)-, 6-acetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 344.198759378 u
Formula C21H28O4
InChI InChI=1S/C21H28O4/c1-12(22)25-18-11-14-15-4-5-19(24)21(15,3)9-7-16(14)20(2)8-6-13(23)10-17(18)20/h6,8,10,14-16,18-19,24H,4-5,7,9,11H2,1-3H3
InChIKey OPYKHVFZSIUWLD-UHFFFAOYSA-N
Molecular Weight 344.451 g/mol
SMILES C=1C(C=C2C(C1)(C1C(CC2OC(C)=O)C2C(C(O)CC2)(C)CC1)C)=O