| SpectraBase Compound ID | HV32tpVKJ7z |
|---|---|
| InChI | InChI=1S/C27H38O3S/c1-19(2)21-9-13-24-22(17-21)10-14-25-26(4,15-6-16-27(24,25)5)18-30-31(28,29)23-11-7-20(3)8-12-23/h7-8,10-12,17,19,24-25H,6,9,13-16,18H2,1-5H3/t24?,25-,26-,27+/m0/s1 |
| InChIKey | GBMJJKMZBQHIHA-PZUGKWDRSA-N |
| Mol Weight | 442.7 g/mol |
| Molecular Formula | C27H38O3S |
| Exact Mass | 442.254166 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LwYurOZoc1G |
|---|---|
| Name | abieta-7,13-dien-18-yl p-toluenesulfonate |
| Alternate Name(s) | (4beta)-abieta-7,13-dien-18-yl 4-methylbenzenesulfonate |
| CAS Registry Number | 24563-96-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H38O3S |
| InChI | InChI=1S/C27H38O3S/c1-19(2)21-9-13-24-22(17-21)10-14-25-26(4,15-6-16-27(24,25)5)18-30-31(28,29)23-11-7-20(3)8-12-23/h7-8,10-12,17,19,24-25H,6,9,13-16,18H2,1-5H3/t24?,25-,26-,27+/m0/s1 |
| InChIKey | GBMJJKMZBQHIHA-PZUGKWDRSA-N |
| Molecular Weight | 442.658 g/mol |
| SMILES | C(OS(c1ccc(cc1)C)(=O)=O)[C@]1([C@]2([C@](C3CCC(=CC3=CC2)C(C)C)(C)CCC1)[H])C |
| SPLASH | splash10-0006-3190000000-bfda936874866984923e |
| Source of Spectrum | B-43-877-0 |
| Wiley ID | 1385444 |