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

*Links on SpectraBase are not permalinks.

5-Pregnen-3.beta.-ol-20-one, hexanoate

View entire compound with spectra: 1 NMR

5-Pregnen-3.beta.-ol-20-one, hexanoate
SpectraBase Compound ID 8IyAlwx2MXO
InChI InChI=1S/C27H42O3/c1-5-6-7-8-25(29)30-20-13-15-26(3)19(17-20)9-10-21-23-12-11-22(18(2)28)27(23,4)16-14-24(21)26/h9,20-24H,5-8,10-17H2,1-4H3
InChIKey IBCXWBFTIJYFJY-UHFFFAOYSA-N
Mol Weight 414.6 g/mol
Molecular Formula C27H42O3
Exact Mass 414.313395 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 j1X7Svrc4q
Name 5-Pregnen-3.beta.-ol-20-one, hexanoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 414.313395209 u
Formula C27H42O3
InChI InChI=1S/C27H42O3/c1-5-6-7-8-25(29)30-20-13-15-26(3)19(17-20)9-10-21-23-12-11-22(18(2)28)27(23,4)16-14-24(21)26/h9,20-24H,5-8,10-17H2,1-4H3
InChIKey IBCXWBFTIJYFJY-UHFFFAOYSA-N
Molecular Weight 414.630 g/mol
SMILES CCCCCC(OC1CC=2C(C3CCC4(C(C(C)=O)CCC4C3CC2)C)(CC1)C)=O