| SpectraBase Compound ID | GGMYjStWclw |
|---|---|
| InChI | InChI=1S/C29H38O6/c1-19(14-17-34-21(3)30)12-13-23-20(2)18-24(35-26(31)22-10-7-6-8-11-22)25-28(23,4)15-9-16-29(25,5)27(32)33/h6-8,10-11,14,23-25H,2,9,12-13,15-18H2,1,3-5H3,(H,32,33)/b19-14+/t23-,24-,25?,28-,29-/m1/s1 |
| InChIKey | QMMAHNNAAVSGCB-GQIHBALISA-N |
| Mol Weight | 482.6 g/mol |
| Molecular Formula | C29H38O6 |
| Exact Mass | 482.266839 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 | FeBESWrrPL3 |
|---|---|
| Name | Acetyl-scoparic acid A |
| Alternate Name(s) | 4,10-Dimethyl-9-(5'-acetoxy-3'-methyl-3'-pentenyl)-6-(benzoyloxy)-8-methylene-(decahydro)-naphtalene-4-carboxylic Acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H38O6 |
| InChI | InChI=1S/C29H38O6/c1-19(14-17-34-21(3)30)12-13-23-20(2)18-24(35-26(31)22-10-7-6-8-11-22)25-28(23,4)15-9-16-29(25,5)27(32)33/h6-8,10-11,14,23-25H,2,9,12-13,15-18H2,1,3-5H3,(H,32,33)/b19-14+/t23-,24-,25?,28-,29-/m1/s1 |
| InChIKey | QMMAHNNAAVSGCB-GQIHBALISA-N |
| Molecular Weight | 482.617 g/mol |
| SMILES | OC([C@]1(C2[C@@]([C@@](C(C[C@]2(OC(=O)c2ccccc2)[H])=C)(CC\C(=C\COC(=O)C)C)[H])(CCC1)C)C)=O |
| SPLASH | splash10-0a4i-2900000000-eace1821e9907c2c14b8 |
| Source of Spectrum | X2-55-1754-5 |
| Wiley ID | 1604665 |