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

*Links on SpectraBase are not permalinks.

(5Z,7E)-(3S,20S)-3-hydroxy-9,10-seco-5,7,10(19)-pregnatriene-20-carboxylic acid methyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

(5Z,7E)-(3S,20S)-3-hydroxy-9,10-seco-5,7,10(19)-pregnatriene-20-carboxylic acid methyl ester
SpectraBase Compound ID KSzcwLyTKjM
InChI InChI=1S/C23H34O3/c1-15-7-10-19(24)14-18(15)9-8-17-6-5-13-23(3)20(11-12-21(17)23)16(2)22(25)26-4/h8-9,16,19-21,24H,1,5-7,10-14H2,2-4H3/b17-8+,18-9-/t16-,19-,20+,21-,23+/m0/s1
InChIKey INTZKPKWBMODTK-LIROAIKCSA-N
Mol Weight 358.5 g/mol
Molecular Formula C23H34O3
Exact Mass 358.250795 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

Subscribe to view the full spectrum.

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

SpectraBase Spectrum ID F1LPuTANoHY
Name (5Z,7E)-(3S,20S)-3-Hydroxy-9,10-seco-5,7,10(19)-pregnatriene-20-carboxylic acid methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 358.250794952 u
Formula C23H34O3
InChI InChI=1S/C23H34O3/c1-15-7-10-19(24)14-18(15)9-8-17-6-5-13-23(3)20(11-12-21(17)23)16(2)22(25)26-4/h8-9,16,19-21,24H,1,5-7,10-14H2,2-4H3/b17-8+,18-9-/t16-,19-,20+,21-,23+/m0/s1
InChIKey INTZKPKWBMODTK-LIROAIKCSA-N
Molecular Weight 358.522 g/mol
SMILES [C@@]12([C@@]([C@@](C(=O)OC)(C)[H])(CC[C@]2(\C(=C\C=C/2C(CC[C@@](C2)(O)[H])=C)CCC1)[H])[H])C