| SpectraBase Compound ID | FTYxrQ1Dr3J |
|---|---|
| InChI | InChI=1S/C29H36O4/c1-19-21-11-12-23-27(2)15-7-16-28(3,26(31)32)22(27)14-17-29(23,18-21)25(19)33-24(30)13-10-20-8-5-4-6-9-20/h4-6,8-10,13,21-23,25H,1,7,11-12,14-18H2,2-3H3,(H,31,32)/b13-10+/t21-,22+,23+,25+,27-,28-,29-/m1/s1 |
| InChIKey | JYMRFFRJCMWZHS-ADMZAXJBSA-N |
| Mol Weight | 448.6 g/mol |
| Molecular Formula | C29H36O4 |
| Exact Mass | 448.26136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IWxA0OR7V8u |
|---|---|
| Name | ENT-15-BETA-E-CINNAMOYLOXY-16-KAUREN-19-OIC-ACID;CINNAMOYLGRANDIFLORIC-ACID |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H36O4 |
| InChI | InChI=1S/C29H36O4/c1-19-21-11-12-23-27(2)15-7-16-28(3,26(31)32)22(27)14-17-29(23,18-21)25(19)33-24(30)13-10-20-8-5-4-6-9-20/h4-6,8-10,13,21-23,25H,1,7,11-12,14-18H2,2-3H3,(H,31,32)/b13-10+/t21-,22+,23+,25+,27-,28-,29-/m1/s1 |
| InChIKey | JYMRFFRJCMWZHS-ADMZAXJBSA-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 | 448.602 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWPA1377 |