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1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,10a-hexahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, [1R-(1.alpha.,4a.beta.,10a.alpha.)]-

View entire compound with spectra: 6 MS (GC)

1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,10a-hexahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, [1R-(1.alpha.,4a.beta.,10a.alpha.)]-
SpectraBase Compound ID 2MBGNltEWqp
InChI InChI=1S/C21H28O2/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/h7-10,13-14,18H,6,11-12H2,1-5H3/t18-,20-,21-/m1/s1
InChIKey GNEXBBYESLSHNT-HMXCVIKNSA-N
Mol Weight 312.45 g/mol
Molecular Formula C21H28O2
Exact Mass 312.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5NPLUEPyLew
Name 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,10a-hexahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, [1R-(1.alpha.,4a.beta.,10a.alpha.)]-
CAS Registry Number 18492-76-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O2
InChI InChI=1S/C21H28O2/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/h7-10,13-14,18H,6,11-12H2,1-5H3/t18-,20-,21-/m1/s1
InChIKey GNEXBBYESLSHNT-HMXCVIKNSA-N
Molecular Weight 312.453 g/mol
SMILES [C@@]12([C@]([C@@](C(=O)OC)(C)CCC2)(C=Cc2c1ccc(C(C)C)c2)[H])C
SPLASH splash10-01pd-3965000000-633e368a1a49b500ca25
Source of Spectrum Va-0-0-0
Synonyms Methyl abieta-6,8,11,13-tetraen-18-oate 1,4a-dimethyl-7-propan-2-yl-2,3,4,10a-tetrahydrophenanthrene-1-carboxylic acid methyl ester 7-isopropyl-1,4a-dimethyl-2,3,4,10a-tetrahydrophenanthrene-1-carboxylic acid methyl ester Methyl 1,4a-dimethyl-7-propan-2-yl-2,3,4,10a-tetrahydrophenanthrene-1-carboxylate Methyl 6-dehydrodehydroabietate Methyl 7-isopropyl-1,4a-dimethyl-2,3,4,10a-tetrahydrophenanthrene-1-carboxylate Podocarpa-6,8,11,13-tetraen-15-oic acid, 13-isopropyl-, methyl ester (1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,10a-tetrahydrophenanthrene-1-carboxylic acid methyl ester Methyl (1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl-2,3,4,10a-tetrahydrophenanthrene-1-carboxylate Methyl (1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,10a-tetrahydrophenanthrene-1-carboxylate
Wiley ID 740167