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[1R-(1.alpha.,4a.beta.,4b.alpha.,8a.alpha.,10a.alpha.)]-1,2,3,4,4a,4a,5,6,8a,9,10,10a - dodecahydro - 1,4a - dimethyl - 7 - (1-methylethyl) - 1 - phenanthrenecarboxylic acid, methyl ester

View entire compound with spectra: 1 MS (GC)

[1R-(1.alpha.,4a.beta.,4b.alpha.,8a.alpha.,10a.alpha.)]-1,2,3,4,4a,4a,5,6,8a,9,10,10a - dodecahydro - 1,4a - dimethyl - 7 - (1-methylethyl) - 1 - phenanthrenecarboxylic acid, methyl ester
SpectraBase Compound ID 7c6Qx2oZArI
InChI InChI=1S/C21H34O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h13-14,16-18H,6-12H2,1-5H3/t16-,17+,18-,20-,21+/m0/s1
InChIKey MARRJGBPDCCAEK-WRJHFWDFSA-N
Mol Weight 318.5 g/mol
Molecular Formula C21H34O2
Exact Mass 318.25588 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D0qe62JQDgY
Name [1R-(1.alpha.,4a.beta.,4b.alpha.,8a.alpha.,10a.alpha.)]-1,2,3,4,4a,4a,5,6,8a,9,10,10a - dodecahydro - 1,4a - dimethyl - 7 - (1-methylethyl) - 1 - phenanthrenecarboxylic acid, methyl ester
Alternate Name(s) Methyl (4beta,5beta,9beta,10alpha)-abiet-13-en-18-oate
CAS Registry Number 35481-92-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H34O2
InChI InChI=1S/C21H34O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h13-14,16-18H,6-12H2,1-5H3/t16-,17+,18-,20-,21+/m0/s1
InChIKey MARRJGBPDCCAEK-WRJHFWDFSA-N
Molecular Weight 318.501 g/mol
SMILES [C@]12([C@@]([C@@](C(=O)OC)(C)CCC2)(CC[C@]2(C=C(CC[C@@]12[H])C(C)C)[H])[H])C
SPLASH splash10-05tf-9641000000-da28d0873389e4afdc6f
Source of Spectrum Va-0-0-0
Wiley ID 739451