![Methyl 12-[2'-(2"-hydroxy-6''-methoxybenzoyl)vinyl]-dehydroabietate](/api/spectrum/9ojEUhvCWsH/structure.png?h=300&w=458 "Methyl 12-[2'-(2\"-hydroxy-6''-methoxybenzoyl)vinyl]-dehydroabietate")
| SpectraBase Compound ID | 3dwZQ48Db4a |
|---|---|
| InChI | InChI=1S/C31H38O5/c1-19(2)22-17-21-12-14-27-30(3,15-8-16-31(27,4)29(34)36-6)23(21)18-20(22)11-13-25(33)28-24(32)9-7-10-26(28)35-5/h7,9-11,13,17-19,27,32H,8,12,14-16H2,1-6H3/b13-11+/t27?,30-,31-/m1/s1 |
| InChIKey | PWBLPLPKFANBIF-GRHLYOSCSA-N |
| Mol Weight | 490.6 g/mol |
| Molecular Formula | C31H38O5 |
| Exact Mass | 490.271924 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9ojEUhvCWsH |
|---|---|
| Name | Methyl 12-[2'-(2"-hydroxy-6''-methoxybenzoyl)vinyl]-dehydroabietate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H38O5 |
| InChI | InChI=1S/C31H38O5/c1-19(2)22-17-21-12-14-27-30(3,15-8-16-31(27,4)29(34)36-6)23(21)18-20(22)11-13-25(33)28-24(32)9-7-10-26(28)35-5/h7,9-11,13,17-19,27,32H,8,12,14-16H2,1-6H3/b13-11+/t27?,30-,31-/m1/s1 |
| InChIKey | PWBLPLPKFANBIF-GRHLYOSCSA-N |
| Molecular Weight | 490.640 g/mol |
| SMILES | Oc1c(C(\C=C\c2cc3[C@@]4(C([C@](C(=O)OC)(CCC4)C)CCc3cc2C(C)C)C)=O)c(OC)ccc1 |
| SPLASH | splash10-0002-0400900000-f436929eaf8044e313c1 |
| Source of Spectrum | AH-139-1123-4b |
| Wiley ID | 1695839 |