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

*Links on SpectraBase are not permalinks.

1-(2,2-Dimethoxy-ethyl)-7-hydroxy-2,4b-dimethyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydrophenanthrene-2-carboxylic acid, methyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

1-(2,2-Dimethoxy-ethyl)-7-hydroxy-2,4b-dimethyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydrophenanthrene-2-carboxylic acid, methyl ester
SpectraBase Compound ID L8vEFtBZJBD
InChI InChI=1S/C22H36O5/c1-21-10-8-15(23)12-14(21)6-7-16-17(21)9-11-22(2,20(24)27-5)18(16)13-19(25-3)26-4/h6,15-19,23H,7-13H2,1-5H3
InChIKey OYDHSJWQTYJZHC-UHFFFAOYSA-N
Mol Weight 380.5 g/mol
Molecular Formula C22H36O5
Exact Mass 380.256274 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 KrZMWGdBEP6
Name 1-(2,2-Dimethoxy-ethyl)-7-hydroxy-2,4B-dimethyl-1,2,3,4,4A,4B,5,6,7,8,10,10A-dodecahydrophenanthrene-2-carboxylic acid, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 380.256274254 u
Formula C22H36O5
InChI InChI=1S/C22H36O5/c1-21-10-8-15(23)12-14(21)6-7-16-17(21)9-11-22(2,20(24)27-5)18(16)13-19(25-3)26-4/h6,15-19,23H,7-13H2,1-5H3
InChIKey OYDHSJWQTYJZHC-UHFFFAOYSA-N
Molecular Weight 380.525 g/mol
SMILES COC(OC)CC1C2CC=C3CC(O)CCC3(C2CCC1(C)C(OC)=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.837288