| SpectraBase Compound ID | 4c4JjBnKA4q |
|---|---|
| InChI | InChI=1S/C29H36O5/c1-19-21-12-17-29(33)27(3)15-7-14-26(2,25(31)32)22(27)13-16-28(29,18-21)24(19)34-23(30)11-10-20-8-5-4-6-9-20/h4-6,8-11,21-22,24,33H,1,7,12-18H2,2-3H3,(H,31,32)/b11-10+/t21-,22-,24+,26-,27-,28+,29-/m1/s1 |
| InChIKey | GZKHYVJXWLTZOY-PEFGBDITSA-N |
| Mol Weight | 464.6 g/mol |
| Molecular Formula | C29H36O5 |
| Exact Mass | 464.256274 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EDrMFJ0xWMb |
|---|---|
| Name | ENT-9-ALPHA-HYDROXY-15-BETA-E-CINNAMOYLOXY-16-KAUREN-19-OIC-ACID |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H36O5 |
| InChI | InChI=1S/C29H36O5/c1-19-21-12-17-29(33)27(3)15-7-14-26(2,25(31)32)22(27)13-16-28(29,18-21)24(19)34-23(30)11-10-20-8-5-4-6-9-20/h4-6,8-11,21-22,24,33H,1,7,12-18H2,2-3H3,(H,31,32)/b11-10+/t21-,22-,24+,26-,27-,28+,29-/m1/s1 |
| InChIKey | GZKHYVJXWLTZOY-PEFGBDITSA-N |
| Literature Reference Author | A.M.D.NASCIMENTO,D.C.R.D.OLIVEIRA |
| Literature Reference Citation | J.BRAZ.CHEM.SOC.,12,552(2001) |
| Literature Reference DOI | 10.1590/s0103-50532001000400019 |
| Molecular Weight | 464.602 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWPA1375 |