| SpectraBase Compound ID | CSngsc4OmtL |
|---|---|
| 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 |
| InChIKey | HWUVPJJFVCOYPE-MWBYQJBMSA-N |
| Mol Weight | 330.47 g/mol |
| Molecular Formula | C21H30O3 |
| Exact Mass | 330.219495 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9UJh946q8H5 |
|---|---|
| Name | Methyl 7-.beta.-hydroxy-dehydroabietate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H30O3 |
| 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 |
| InChIKey | HWUVPJJFVCOYPE-MWBYQJBMSA-N |
| Molecular Weight | 330.468 g/mol |
| SMILES | O[C@@]1(c2cc(C(C)C)ccc2[C@@]2(C([C@](C(=O)OC)(CCC2)C)C1)C)[H] |
| SPLASH | splash10-03ds-0976000000-cd735be729282bb3f99e |
| Source of Spectrum | OP-25-221-10 |
| Synonyms | (1R,4aS,9S)-9-hydroxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid methyl ester Methyl (1R,4aS,9S)-9-hydroxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate Methyl (1R,4aS,9S)-9-hydroxy-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate Methyl (1R,4aS,9S)-1,4a-dimethyl-9-oxidanyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate |
| Wiley ID | 850521 |