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1-Phenanthrenecarboxylic acid, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,10a-decahydro-1,4a,7-trimethyl-, methyl ester, [1R-(1.alpha.,4a.beta.,4b.alpha.,7.beta.,10a.alpha.)]-
SpectraBase Compound ID 3YOPPNCGjwB
InChI InChI=1S/C21H30O2/c1-6-19(2)13-10-16-15(14-19)8-9-17-20(16,3)11-7-12-21(17,4)18(22)23-5/h6,8-9,14,16-17H,1,7,10-13H2,2-5H3/t16-,17+,19-,20+,21+/m0/s1
InChIKey LEIFDPMAIXEROZ-GBMAXXPESA-N
Mol Weight 314.47 g/mol
Molecular Formula C21H30O2
Exact Mass 314.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2d4Tpfc7OSS
Name 1-Phenanthrenecarboxylic acid, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,10a-decahydro-1,4a,7-trimethyl-, methyl ester, [1R-(1.alpha.,4a.beta.,4b.alpha.,7.beta.,10a.alpha.)]-
Alternate Name(s) 1,3,7-Trimethyl-4-vinyl-7-methoxycarbonyl-1,1a,4,4,a,5,6,7,8,9,10-decahydrophenanthrene Methyl (4alpha,13alpha)-pimara-6,8(14),15-trien-18-oate
CAS Registry Number 68421-03-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O2
InChI InChI=1S/C21H30O2/c1-6-19(2)13-10-16-15(14-19)8-9-17-20(16,3)11-7-12-21(17,4)18(22)23-5/h6,8-9,14,16-17H,1,7,10-13H2,2-5H3/t16-,17+,19-,20+,21+/m0/s1
InChIKey LEIFDPMAIXEROZ-GBMAXXPESA-N
Molecular Weight 314.469 g/mol
SMILES [C@@]12([C@]([C@@](C(=O)OC)(C)CCC2)(C=CC=2[C@@]1(CC[C@@](C=C)(C)C2)[H])[H])C
SPLASH splash10-08n9-0940000000-e29ab1eaddca59da243e
Source of Spectrum F-41-1865-0
Wiley ID 1315584