| SpectraBase Compound ID | 5pCvFjI7MbE |
|---|---|
| InChI | InChI=1S/C21H28O3/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/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18?,20-,21-/m1/s1/i12D2 |
| InChIKey | URPBIQPJABGDJD-DIAXXJKWSA-N |
| Mol Weight | 330.46 g/mol |
| Molecular Formula | C21H26D2O3 |
| Exact Mass | 330.216398 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 53TjvCEWaEH |
|---|---|
| Name | Methyl 7-oxo-6,6-dideuterio-dehydroabietate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H26D2O3 |
| InChI | InChI=1S/C21H28O3/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/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18?,20-,21-/m1/s1/i12D2 |
| InChIKey | URPBIQPJABGDJD-DIAXXJKWSA-N |
| Molecular Weight | 330.464 g/mol |
| SMILES | C1(C2[C@@](CCC[C@]2(C(=O)OC)C)(C)c2c(C1=O)cc(cc2)C(C)C)([D])[D] |
| SPLASH | splash10-0udi-0092000000-98a0de714542ee942dd6 |
| Source of Spectrum | SK-28-3086-2 |
| Synonyms | Methyl 7-oxo-6,6-dideuterio-1-abietate (1R,4aS)-10,10-dideuterio-1,4a-dimethyl-9-oxo-7-propan-2-yl-2,3,4,10a-tetrahydrophenanthrene-1-carboxylic acid methyl ester Methyl (1R,4aS)-10,10-dideuterio-1,4a-dimethyl-9-oxo-7-propan-2-yl-2,3,4,10a-tetrahydrophenanthrene-1-carboxylate Methyl (1R,4aS)-10,10-dideuterio-7-isopropyl-1,4a-dimethyl-9-oxo-2,3,4,10a-tetrahydrophenanthrene-1-carboxylate Methyl (1R,4aS)-10,10-dideuterio-1,4a-dimethyl-9-oxidanylidene-7-propan-2-yl-2,3,4,10a-tetrahydrophenanthrene-1-carboxylate |
| Wiley ID | 868639 |