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1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethylidene)-, methyl ester, [1R-(1.alpha.,4a.beta.,10a.alpha.)]-
SpectraBase Compound ID JZNM2PDc4D5
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/h18H,6-13H2,1-5H3
InChIKey VFNUXJRDTGGNPS-UHFFFAOYSA-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 1rPTCKLpHn9
Name 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethylidene)-, methyl ester, [1R-(1.alpha.,4a.beta.,10a.alpha.)]-
CAS Registry Number 19402-34-7
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/h18H,6-13H2,1-5H3
InChIKey VFNUXJRDTGGNPS-UHFFFAOYSA-N
Molecular Weight 316.485 g/mol
SMILES CC12C(C(C(OC)=O)(C)CCC2)CCC2=C1CCC(C2)=C(C)C
SPLASH splash10-00kr-0937000000-96b3882cce731621cd9f
Source of Spectrum F-41-4939-3
Synonyms Methyl abieta-8,13(15)-dien-18-oate 1,4a-dimethyl-7-propan-2-ylidene-3,4,5,6,8,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid methyl ester Podocarp-8-en-15-oic acid, 13-isopropylidene-, methyl ester, (+)- 7-isopropylidene-1,4a-dimethyl-3,4,5,6,8,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid methyl ester Methyl 1,4a-dimethyl-7-propan-2-ylidene-3,4,5,6,8,9,10,10a-octahydro-2H-phenanthrene-1-carboxylate Methyl 7-isopropylidene-1,4a-dimethyl-3,4,5,6,8,9,10,10a-octahydro-2H-phenanthrene-1-carboxylate
Wiley ID 1317289