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

*Links on SpectraBase are not permalinks.
7-Benzoyl-8-methoxycarbonylmethyl-4a,7-dimethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9-dodecahydro-phenanthrene-2-carboxylic acid, methyl ester
SpectraBase Compound ID AO4ca3cEwx2
InChI InChI=1S/C28H36O5/c1-27-14-12-19(26(31)33-4)16-20(27)10-11-21-22(27)13-15-28(2,23(21)17-24(29)32-3)25(30)18-8-6-5-7-9-18/h5-10,19,21-23H,11-17H2,1-4H3
InChIKey VZTWJANPTDRZPX-UHFFFAOYSA-N
Mol Weight 452.6 g/mol
Molecular Formula C28H36O5
Exact Mass 452.256274 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID CFfirqzTcWn
Name 7-BENZOYL-8-METHOXYCARBONYLMETHYL-4A,7-DIMETHYL-1,2,3,4,4A,4B,5,6,7,8,8A,9-DODECAHYDROPHENANTHRENE-2-CARBOXYLIC ACID, METHYL ESTER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C28H36O5
InChI InChI=1S/C28H36O5/c1-27-14-12-19(26(31)33-4)16-20(27)10-11-21-22(27)13-15-28(2,23(21)17-24(29)32-3)25(30)18-8-6-5-7-9-18/h5-10,19,21-23H,11-17H2,1-4H3
InChIKey VZTWJANPTDRZPX-UHFFFAOYSA-N
Molecular Weight 452.2553
SMILES C1(C(OC)=O)CC2=CCC3C(CC(OC)=O)C(C)(C(c4ccccc4)=O)CCC3C2(C)CC1
SPLASH splash10-0bt9-4954000000-535a418af8e0b4ecb549
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany