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Methyl dehydroabietate

View entire compound with spectra: 2 NMR, and 10 MS (GC)

Methyl dehydroabietate
SpectraBase Compound ID ErrNc3QDpCy
InChI InChI=1S/C21H30O2/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/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18?,20-,21-/m1/s1
InChIKey PGZCJOPTDHWYES-VTVVEXCCSA-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 DuMddORtJxb
Name 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, [1R-(1.alpha.,4a.beta.,10a.alpha.)]-
CAS Registry Number 1235-74-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O2
InChI InChI=1S/C21H30O2/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/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18?,20-,21-/m1/s1
InChIKey PGZCJOPTDHWYES-VTVVEXCCSA-N
Molecular Weight 314.469 g/mol
SMILES [C@@]12(C([C@@](C(=O)OC)(C)CCC2)CCc2c1ccc(C(C)C)c2)C
SPLASH splash10-000i-0193000000-dac5e3884b7d0ab6250e
Source of Spectrum Va-0-0-0
Synonyms Methyl abieta-8,11,13-trien-18-oate 1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid methyl ester 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, [1S-(1.alpha.,4a.alpha.,10a.beta.)]- 7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid methyl ester Methyl 1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate Methyl 7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate Methyl dehydroabietyate Podocarpa-8,11,13-trien-15-oic acid, 13-isopropyl-, methyl ester Podocarpa-8,11,13-trien-16-oic acid, 13-isopropyl-, methyl ester (1R,4aS)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid methyl ester Methyl (1R,4aS)-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate Methyl (1R,4aS)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate NSC 146198 NSC 81596
Wiley ID 743150