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

*Links on SpectraBase are not permalinks.
3-.alpha.-Acetoxy-5.beta.-H-11-pregnene-20-one
SpectraBase Compound ID Ags32WMHUtz
InChI InChI=1S/C23H34O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h10,12,16-21H,5-9,11,13H2,1-4H3/t16-,17-,18?,19-,20?,21?,22+,23-/m1/s1
InChIKey KCAUMDZVEARSJW-PMJLKRMJSA-N
Mol Weight 358.5 g/mol
Molecular Formula C23H34O3
Exact Mass 358.250795 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID CgNeAHNK6H9
Name 3-.alpha.-Acetoxy-5.beta.-H-11-pregnene-20-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 358.250794952 u
Formula C23H34O3
InChI InChI=1S/C23H34O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h10,12,16-21H,5-9,11,13H2,1-4H3/t16-,17-,18?,19-,20?,21?,22+,23-/m1/s1
InChIKey KCAUMDZVEARSJW-PMJLKRMJSA-N
Molecular Weight 358.522 g/mol
SMILES [C@]12(C(C3C([C@@]4([C@](C[C@](OC(=O)C)(CC4)[H])([H])CC3)C)C=C1)CC[C@@]2(C(=O)C)[H])C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.943548