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

*Links on SpectraBase are not permalinks.
PREGN-4-EN-18-OIC ACID, 11-(ACETYLOXY)-9,20-DIHYDROXY-3-OXO-, gamma-LACTONE, (11alpha,20R)-
SpectraBase Compound ID IGFujGTIV8X
InChI InChI=1S/C21H28O3.C2H4O2/c1-12-16-5-6-18-15-4-3-13-11-14(22)7-9-20(13,2)17(15)8-10-21(16,18)19(23)24-12;1-2(3)4/h11-12,15-18H,3-10H2,1-2H3;1H3,(H,3,4)
InChIKey DSPOYVICHQWAOI-UHFFFAOYSA-N
Mol Weight 388.5 g/mol
Molecular Formula C23H32O5
Exact Mass 388.224974 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 4ZzAAQrn4Pl
Name PREGN-4-EN-18-OIC ACID, 11-(ACETYLOXY)-9,20-DIHYDROXY-3-OXO-, gamma-LACTONE, (11alpha,20R)-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C23H30O6
InChI InChI=1S/C21H28O3.C2H4O2/c1-12-16-5-6-18-15-4-3-13-11-14(22)7-9-20(13,2)17(15)8-10-21(16,18)19(23)24-12;1-2(3)4/h11-12,15-18H,3-10H2,1-2H3;1H3,(H,3,4)
InChIKey DSPOYVICHQWAOI-UHFFFAOYSA-N
Molecular Weight 388.2241
SMILES OC(=O)C.C1CC2(C)C(=CC1=O)CCC1C3CCC4C(C)OC(=O)C34CCC21
SPLASH splash10-0uk9-5941400000-712b5e61181d02ff3caf
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany