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

*Links on SpectraBase are not permalinks.
PREGN-16-EN-20-ONE, 11,18-BIS(ACETYLOXY)-3,9-EPOXY-3-METHOXY-, (3alpha,5beta,11alpha)-
SpectraBase Compound ID JSoUiyBtusC
InChI InChI=1S/C24H36O4.C2H4O2/c1-15(25)20-7-8-22-19-6-5-17-13-18(27-4)9-11-23(17,3)21(19)10-12-24(20,22)14-28-16(2)26;1-2(3)4/h7,17-19,21-22H,5-6,8-14H2,1-4H3;1H3,(H,3,4)
InChIKey MNELDDIOCYQXQJ-UHFFFAOYSA-N
Mol Weight 448.6 g/mol
Molecular Formula C26H40O6
Exact Mass 448.282489 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 GpqLe2WOM3E
Name PREGN-16-EN-20-ONE, 11,18-BIS(ACETYLOXY)-3,9-EPOXY-3-METHOXY-, (3alpha,5beta,11alpha)-
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C26H36O7
InChI InChI=1S/C24H36O4.C2H4O2/c1-15(25)20-7-8-22-19-6-5-17-13-18(27-4)9-11-23(17,3)21(19)10-12-24(20,22)14-28-16(2)26;1-2(3)4/h7,17-19,21-22H,5-6,8-14H2,1-4H3;1H3,(H,3,4)
InChIKey MNELDDIOCYQXQJ-UHFFFAOYSA-N
Molecular Weight 448.2814
SMILES OC(=O)C.C1CC2(C)C(CCC3C4CC=C(C(=O)C)C4(COC(=O)C)CCC23)CC1OC
SPLASH splash10-0006-6932000000-edd66ccf1da3eda3d40b
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany