![1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethylidene)-, methyl ester, [1R-(1.alpha.,4a.beta.,4b.alpha.,10a.alpha.)]-](/api/spectrum/ImknJWQGM0m/structure.png?h=300&w=458 "1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethylidene)-, methyl ester, [1R-(1.alpha.,4a.beta.,4b.alpha.,10a.alpha.)]-")
| SpectraBase Compound ID | 7zVtFEuMwWi |
|---|---|
| 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/h13,17-18H,6-12H2,1-5H3 |
| InChIKey | XLNYKQDSHLEWFW-UHFFFAOYSA-N |
| Mol Weight | 316.5 g/mol |
| Molecular Formula | C21H32O2 |
| Exact Mass | 316.24023 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | ImknJWQGM0m |
|---|---|
| Name | 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethylidene)-, methyl ester, [1R-(1.alpha.,4a.beta.,4b.alpha.,10a.alpha.)]- |
| CAS Registry Number | 3310-97-2 |
| 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/h13,17-18H,6-12H2,1-5H3 |
| InChIKey | XLNYKQDSHLEWFW-UHFFFAOYSA-N |
| Molecular Weight | 316.485 g/mol |
| SMILES | C1CCC2(C3CCC(C=C3CCC2C1(C)C(=O)OC)=C(C)C)C |
| SPLASH | splash10-000i-1900000000-2330d269a78de8a219c4 |
| Source of Spectrum | Va-0-0-0 |
| Synonyms | Methyl abieta-8(14),13(15)-dien-18-oate 1,4a-dimethyl-7-propan-2-ylidene-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid methyl ester 7-isopropylidene-1,4a-dimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid methyl ester Methyl 1,4a-dimethyl-7-propan-2-ylidene-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylate Methyl 7-isopropylidene-1,4a-dimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylate Methyl 8(14),13(15)-abietadien-18-oate Neoabietic acid methyl ester Podocarp-8(14)-en-15-oic acid, 13-isopropylidene-, methyl ester |
| Wiley ID | 739054 |