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

*Links on SpectraBase are not permalinks.
Estr-5(10)-en-3-one, 17-hydroxy-, cyclic 1,2-ethanediyl acetal, (17.beta.)-
SpectraBase Compound ID w8j2ksNKtK
InChI InChI=1S/C20H30O3/c1-19-8-6-15-14-7-9-20(22-10-11-23-20)12-13(14)2-3-16(15)17(19)4-5-18(19)21/h15-18,21H,2-12H2,1H3
InChIKey QGCSYJDLDMTFOF-UHFFFAOYSA-N
Mol Weight 318.46 g/mol
Molecular Formula C20H30O3
Exact Mass 318.219495 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 Fmc3sxOALux
Name Estr-5(10)-en-3-one, 17-hydroxy-, cyclic 1,2-ethanediyl acetal, (17.beta.)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 318.219494823 u
Formula C20H30O3
InChI InChI=1S/C20H30O3/c1-19-8-6-15-14-7-9-20(22-10-11-23-20)12-13(14)2-3-16(15)17(19)4-5-18(19)21/h15-18,21H,2-12H2,1H3
InChIKey QGCSYJDLDMTFOF-UHFFFAOYSA-N
Molecular Weight 318.457 g/mol
SMILES C12(C)C(C3C(CC2)C2=C(CC3)CC3(CC2)OCCO3)CCC1O