| SpectraBase Compound ID | 8B9X4FRzMjB |
|---|---|
| InChI | InChI=1S/C30H48O3/c1-18(2)19-8-9-21-20-10-11-23-27(5)14-13-24(31)26(3,4)22(27)12-15-29(23,7)28(20,6)16-17-30(19,21)25(32)33/h10,18-19,21-24,31H,8-9,11-17H2,1-7H3,(H,32,33)/t19-,21+,22-,23+,24+,27-,28+,29+,30+/m0/s1 |
| InChIKey | IFWDCMIBLSJBHT-SDGIQYHISA-N |
| Mol Weight | 456.7 g/mol |
| Molecular Formula | C30H48O3 |
| Exact Mass | 456.360345 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 6TY3E26FjMa |
|---|---|
| Name | CROTALIC-ACID;3-ALPHA-HYDROXY-ARBOR-12-ENE-28-CARBOXYLIC-ACID |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H48O3 |
| InChI | InChI=1S/C30H48O3/c1-18(2)19-8-9-21-20-10-11-23-27(5)14-13-24(31)26(3,4)22(27)12-15-29(23,7)28(20,6)16-17-30(19,21)25(32)33/h10,18-19,21-24,31H,8-9,11-17H2,1-7H3,(H,32,33)/t19-,21+,22-,23+,24+,27-,28+,29+,30+/m0/s1 |
| InChIKey | IFWDCMIBLSJBHT-SDGIQYHISA-N |
| Literature Reference Author | B.AHMED,T.A.AL-HOWIRINY,J.S.MOSSA |
| Literature Reference Citation | PHYTOCHEM.,67,956(2006) |
| Literature Reference DOI | 10.1016/j.phytochem.2006.02.019 |
| Molecular Weight | 456.709 g/mol |
| Sample ID | 66228 |
| Solvent | CDCl3:CD3OD |