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

*Links on SpectraBase are not permalinks.

[1S-(1.alpha.,2.alpha.,4a.beta.,4b.alpha.,8a.beta.,10a.alpha.)]- tetradecahydro-2,4b,8,8,10a-pentamethyl-1-phenanthrene-carboxylic acid, methyl ester

View entire compound with spectra: 1 MS (GC)

[1S-(1.alpha.,2.alpha.,4a.beta.,4b.alpha.,8a.beta.,10a.alpha.)]- tetradecahydro-2,4b,8,8,10a-pentamethyl-1-phenanthrene-carboxylic acid, methyl ester
SpectraBase Compound ID FgPaFTafOY5
InChI InChI=1S/C21H36O2/c1-14-8-9-16-20(4)12-7-11-19(2,3)15(20)10-13-21(16,5)17(14)18(22)23-6/h14-17H,7-13H2,1-6H3/t14?,15-,16+,17-,20?,21?/m0/s1
InChIKey UIDMYMSEOUQQFT-LFTXNPCHSA-N
Mol Weight 320.5 g/mol
Molecular Formula C21H36O2
Exact Mass 320.27153 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 KgY0iRVwHB7
Name [1S-(1.alpha.,2.alpha.,4a.beta.,4b.alpha.,8a.beta.,10a.alpha.)]- tetradecahydro-2,4b,8,8,10a-pentamethyl-1-phenanthrene-carboxylic acid, methyl ester
CAS Registry Number 72264-64-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H36O2
InChI InChI=1S/C21H36O2/c1-14-8-9-16-20(4)12-7-11-19(2,3)15(20)10-13-21(16,5)17(14)18(22)23-6/h14-17H,7-13H2,1-6H3/t14?,15-,16+,17-,20?,21?/m0/s1
InChIKey UIDMYMSEOUQQFT-LFTXNPCHSA-N
Molecular Weight 320.517 g/mol
SMILES C12([C@@](C3(CCCC([C@@]3(CC2)[H])(C)C)C)(CCC([C@]1(C(=O)OC)[H])C)[H])C
SPLASH splash10-007o-3902000000-daad0988eb6ed6fe1e18
Source of Spectrum J-45-514-0
Synonyms Methyl (14beta)-8,13-dimethylpodocarpane-14-carboxylate Methyl dihydro-isocopalate Tetradecahydro-1,1,4a,7,8a-pentamethyl-8-phenanthrene-carboxylic acid, methyl ester (name from structure)
Wiley ID 1320589