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

*Links on SpectraBase are not permalinks.

Methyl 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a,7-trimethyl-8-hydroxy-7-[(1'-acetoxy)ethyl]-1-phenanthrenecarboxylate

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

Methyl 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a,7-trimethyl-8-hydroxy-7-[(1'-acetoxy)ethyl]-1-phenanthrenecarboxylate
SpectraBase Compound ID AbsjHC4z2vs
InChI InChI=1S/C23H36O5/c1-14(28-15(2)24)21(3)13-10-17-16(19(21)25)8-9-18-22(17,4)11-7-12-23(18,5)20(26)27-6/h14,17-18,25H,7-13H2,1-6H3
InChIKey ZJSHUTRNOBOOOU-UHFFFAOYSA-N
Mol Weight 392.5 g/mol
Molecular Formula C23H36O5
Exact Mass 392.256274 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 HxdFBsMQ4Yi
Name Methyl 1,2,3,4,4A,4B,5,6,7,9,10,10A-dodecahydro-1,4A,7-trimethyl-8-hydroxy-7-[(1'-acetoxy)ethyl]-1-phenanthrenecarboxylate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 392.256274254 u
Formula C23H36O5
InChI InChI=1S/C23H36O5/c1-14(28-15(2)24)21(3)13-10-17-16(19(21)25)8-9-18-22(17,4)11-7-12-23(18,5)20(26)27-6/h14,17-18,25H,7-13H2,1-6H3
InChIKey ZJSHUTRNOBOOOU-UHFFFAOYSA-N
Molecular Weight 392.536 g/mol
SMILES C12=C(C(C(OC(=O)C)C)(C)CCC1C1(CCCC(C1CC2)(C(=O)OC)C)C)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.976756