| SpectraBase Compound ID | 2O7nmtp90q |
|---|---|
| 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?/m1/s1 |
| InChIKey | HWUVPJJFVCOYPE-LXNSYTRCSA-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 | IOIL4KY3OPI |
|---|---|
| Name | Methyl 7.alpha. or .beta. - hydroxy - dehydro - abietate |
| CAS Registry Number | 62475-62-1 |
| 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?/m1/s1 |
| InChIKey | HWUVPJJFVCOYPE-LXNSYTRCSA-N |
| Molecular Weight | 330.468 g/mol |
| SMILES | O[C@]1(c2cc(C(C)C)ccc2C2(C(C(C(=O)OC)(CCC2)C)C1)C)[H] |
| SPLASH | splash10-000i-0392000000-70962e505ab5dc91ca5e |
| Source of Spectrum | Va-0-0-0 |
| Wiley ID | 740172 |