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Abietic acid methyl ester

View entire compound with spectra: 3 NMR, 6 FTIR, 1 Raman, 2 UV-Vis, and 13 MS (GC)

Abietic acid methyl ester
SpectraBase Compound ID CSCvLHg71oA
InChI InChI=1S/C21H32O2/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/h8,13-14,17-18H,6-7,9-12H2,1-5H3/t17-,18+,20+,21+/m0/s1
InChIKey OVXRPXGVKBHGQO-UYWIDEMCSA-N
Mol Weight 316.5 g/mol
Molecular Formula C21H32O2
Exact Mass 316.24023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2YhrYrQgUK
Name 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, [1R-(1.alpha.,4a.beta.,4b.alpha.,10a.alpha.)]-
CAS Registry Number 127-25-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O2
InChI InChI=1S/C21H32O2/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/h8,13-14,17-18H,6-7,9-12H2,1-5H3/t17-,18+,20+,21+/m0/s1
InChIKey OVXRPXGVKBHGQO-UYWIDEMCSA-N
Molecular Weight 316.485 g/mol
SMILES [C@@]12([C@]([C@@](C(=O)OC)(C)CCC2)(CC=C2[C@@]1(CCC(C(C)C)=C2)[H])[H])C
SPLASH splash10-0aou-2294000000-05853987db4c9abee8d3
Source of Spectrum Va-0-0-0
Synonyms Podocarpa-7,13-dien-15-oic acid, 13-isopropyl-, methyl ester Methyl abieta-7,13-dien-18-oate 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid methyl ester 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, (1R,4aR,4bR,10aR)- 7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid methyl ester Abalyn Methyl 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate Methyl 7,13-abietadien-18-oate Methyl 7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate Methyl abietate Methyl abietate isomer Methyl abietate, technical Methyl ester of wood rosin Wood rosin, methyl ester (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid methyl ester Methyl (1R,4aR,4bR,10aR)-7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate Methyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate AI3-01745 BRN 2702228 EINECS 204-832-7 NSC 2141
Wiley ID 740768