| SpectraBase Compound ID | KG9bcrzC5vV |
|---|---|
| InChI | InChI=1S/C21H30O3/c1-13(2)14-7-8-16-15(11-14)17(22)12-18-20(16,3)9-6-10-21(18,4)19(23)24-5/h7-8,11,13,17-18,22H,6,9-10,12H2,1-5H3/t17-,18?,20+,21+/m0/s1/i12D2 |
| InChIKey | HWUVPJJFVCOYPE-LVLNYBAFSA-N |
| Mol Weight | 332.48 g/mol |
| Molecular Formula | C21H28D2O3 |
| Exact Mass | 332.232048 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | A7jzm93PlQP |
|---|---|
| Name | Methyl 7.beta.-hydroxy-6,6-dideuterio-dehydroabietate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H28D2O3 |
| InChI | InChI=1S/C21H30O3/c1-13(2)14-7-8-16-15(11-14)17(22)12-18-20(16,3)9-6-10-21(18,4)19(23)24-5/h7-8,11,13,17-18,22H,6,9-10,12H2,1-5H3/t17-,18?,20+,21+/m0/s1/i12D2 |
| InChIKey | HWUVPJJFVCOYPE-LVLNYBAFSA-N |
| Molecular Weight | 332.480 g/mol |
| SMILES | O[C@@]1(c2c(ccc(c2)C(C)C)[C@@]2(C(C1([D])[D])[C@](C(=O)OC)(CCC2)C)C)[H] |
| SPLASH | splash10-000i-0192000000-88f65f8de5ec5a8d28c1 |
| Source of Spectrum | SK-28-3086-1 |
| Synonyms | Methyl 7.beta.-hydroxy-6,6-dideuterio-1-abietate (1R,4aS,9S)-10,10-dideuterio-9-hydroxy-1,4a-dimethyl-7-propan-2-yl-3,4,9,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid methyl ester Methyl (1R,4aS,9S)-10,10-dideuterio-9-hydroxy-1,4a-dimethyl-7-propan-2-yl-3,4,9,10a-tetrahydro-2H-phenanthrene-1-carboxylate Methyl (1R,4aS,9S)-10,10-dideuterio-9-hydroxy-7-isopropyl-1,4a-dimethyl-3,4,9,10a-tetrahydro-2H-phenanthrene-1-carboxylate Methyl (1R,4aS,9S)-10,10-dideuterio-1,4a-dimethyl-9-oxidanyl-7-propan-2-yl-3,4,9,10a-tetrahydro-2H-phenanthrene-1-carboxylate |
| Wiley ID | 868637 |