| SpectraBase Compound ID | KGKcbVkNeid |
|---|---|
| InChI | InChI=1S/C30H48O2/c1-25(2)17-20-19-9-10-22-28(6)13-12-23(31)26(3,4)21(28)11-14-30(22,8)29(19,7)16-15-27(20,5)18-24(25)32/h9-10,20-21,23-24,31-32H,11-18H2,1-8H3/t20-,21-,23+,24-,27-,28-,29+,30+/m0/s1 |
| InChIKey | IWLHDEVJYZEFIR-OYBBWNTCSA-N |
| Mol Weight | 440.7 g/mol |
| Molecular Formula | C30H48O2 |
| Exact Mass | 440.365431 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6b2oP17bfTx |
|---|---|
| Name | 3-ALPHA,21-BETA-DIHYDROXY-OLEAN-9(11),12-DIENE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H48O2 |
| InChI | InChI=1S/C30H48O2/c1-25(2)17-20-19-9-10-22-28(6)13-12-23(31)26(3,4)21(28)11-14-30(22,8)29(19,7)16-15-27(20,5)18-24(25)32/h9-10,20-21,23-24,31-32H,11-18H2,1-8H3/t20-,21-,23+,24-,27-,28-,29+,30+/m0/s1 |
| InChIKey | IWLHDEVJYZEFIR-OYBBWNTCSA-N |
| Literature Reference Author | D.CACERES-CASTILLO,G.J.MENA-REJON,R.CEDILLO-RIVERA,L.QUIJANO |
| Literature Reference Citation | PHYTOCHEM.,69,1057(2008) |
| Literature Reference DOI | 10.1016/j.phytochem.2007.10.016 |
| Molecular Weight | 440.710 g/mol |
| Sample ID | 43288 |
| Solvent | CDCl3 |