![Methyl 12-[3'-(3''-(methoxyphenyl)-3'-oxopropanoyl]dehydroabietate](/api/spectrum/olPDErDAZL/structure.png?h=300&w=458 "Methyl 12-[3'-(3''-(methoxyphenyl)-3'-oxopropanoyl]dehydroabietate")
| SpectraBase Compound ID | KRV3Qjisxw1 |
|---|---|
| InChI | InChI=1S/C31H38O5/c1-19(2)23-16-20-11-12-28-30(3,13-8-14-31(28,4)29(34)36-6)25(20)17-24(23)27(33)18-26(32)21-9-7-10-22(15-21)35-5/h7,9-10,15-17,19,28H,8,11-14,18H2,1-6H3/t28?,30-,31+/m1/s1 |
| InChIKey | QSORJXNRSQPQKW-DKPRNJSOSA-N |
| Mol Weight | 490.6 g/mol |
| Molecular Formula | C31H38O5 |
| Exact Mass | 490.271924 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | olPDErDAZL |
|---|---|
| Name | Methyl 12-[3'-(3''-(methoxyphenyl)-3'-oxopropanoyl]dehydroabietate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H38O5 |
| InChI | InChI=1S/C31H38O5/c1-19(2)23-16-20-11-12-28-30(3,13-8-14-31(28,4)29(34)36-6)25(20)17-24(23)27(33)18-26(32)21-9-7-10-22(15-21)35-5/h7,9-10,15-17,19,28H,8,11-14,18H2,1-6H3/t28?,30-,31+/m1/s1 |
| InChIKey | QSORJXNRSQPQKW-DKPRNJSOSA-N |
| Molecular Weight | 490.640 g/mol |
| SMILES | [C@]12(c3cc(c(C(C)C)cc3CCC1[C@@](C(=O)OC)(CCC2)C)C(CC(c1cc(OC)ccc1)=O)=O)C |
| SPLASH | splash10-000f-3529400000-cd7fa30d39abd1e19e40 |
| Source of Spectrum | AH-129-1193-7 |
| Wiley ID | 770462 |