| SpectraBase Compound ID | AqDDoRVzbPK |
|---|---|
| InChI | InChI=1S/C21H28O4/c1-19(2,24)13-7-8-15-14(11-13)16(22)12-17-20(15,3)9-6-10-21(17,4)18(23)25-5/h7-8,11,17,24H,6,9-10,12H2,1-5H3/t17-,20-,21-/m1/s1 |
| InChIKey | VGWVMAMFNRSDED-DUXKGJEZSA-N |
| Mol Weight | 344.45 g/mol |
| Molecular Formula | C21H28O4 |
| Exact Mass | 344.198759 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1y2IkpcEzgS |
|---|---|
| Name | 15-Hydroxy-7-oxodehydroabietic acid, methyl ester |
| CAS Registry Number | 60188-95-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H28O4 |
| InChI | InChI=1S/C21H28O4/c1-19(2,24)13-7-8-15-14(11-13)16(22)12-17-20(15,3)9-6-10-21(17,4)18(23)25-5/h7-8,11,17,24H,6,9-10,12H2,1-5H3/t17-,20-,21-/m1/s1 |
| InChIKey | VGWVMAMFNRSDED-DUXKGJEZSA-N |
| Molecular Weight | 344.451 g/mol |
| SMILES | OC(c1cc2C(C[C@@]3([C@@](c2cc1)(CCC[C@]3(C(=O)OC)C)C)[H])=O)(C)C |
| SPLASH | splash10-004l-0419000000-1457b50c9839ea4205c6 |
| Source of Spectrum | Va-0-0-0 |
| Synonyms | (1R,4aS,10aR)-7-(1-hydroxy-1-methyl-ethyl)-9-keto-1,4a-dimethyl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid methyl ester (1R,4aS,10aR)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid methyl ester Methyl (1R,4aS,10aR)-1,4a-dimethyl-9-oxidanylidene-7-(2-oxidanylpropan-2-yl)-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate Methyl (1R,4aS,10aR)-7-(1-hydroxy-1-methyl-ethyl)-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate Methyl (1R,4aS,10aR)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate Methyl 15-hydroxy-7-oxoabieta-9(11),8(14),12-trien-18-oate |
| Wiley ID | 740755 |