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-7-[3'-(methoxycarbonyl)propanoyl]-1-phenanthrenecarboxylate

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

Methyl 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a,7-trimethyl-7-[3'-(methoxycarbonyl)propanoyl]-1-phenanthrenecarboxylate
SpectraBase Compound ID FhMKQ6VJrjC
InChI InChI=1S/C24H36O5/c1-22(19(25)9-10-20(26)28-4)14-11-17-16(15-22)7-8-18-23(17,2)12-6-13-24(18,3)21(27)29-5/h15,17-18H,6-14H2,1-5H3
InChIKey OWRDVMCHRFOINX-UHFFFAOYSA-N
Mol Weight 404.5 g/mol
Molecular Formula C24H36O5
Exact Mass 404.256274 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 1VweQ259NhS
Name Methyl 1,2,3,4,4A,4B,5,6,7,9,10,10A-dodecahydro-1,4A,7-trimethyl-7-[3'-(methoxycarbonyl)propanoyl]-1-phenanthrenecarboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 404.256274254 u
Formula C24H36O5
InChI InChI=1S/C24H36O5/c1-22(19(25)9-10-20(26)28-4)14-11-17-16(15-22)7-8-18-23(17,2)12-6-13-24(18,3)21(27)29-5/h15,17-18H,6-14H2,1-5H3
InChIKey OWRDVMCHRFOINX-UHFFFAOYSA-N
Molecular Weight 404.547 g/mol
SMILES C12(C(C(C(=O)OC)(C)CCC2)CCC=2C1CCC(C(=O)CCC(=O)OC)(C)C2)C