| SpectraBase Compound ID | 89F7t5gSCKP |
|---|---|
| InChI | InChI=1S/C29H36O5/c1-18-20-11-12-21-27(2)14-7-15-28(3,26(32)33)22(27)16-23(30)29(21,17-20)25(18)34-24(31)13-10-19-8-5-4-6-9-19/h4-6,8-10,13,20-23,25,30H,1,7,11-12,14-17H2,2-3H3,(H,32,33)/b13-10+/t20-,21+,22+,23+,25+,27+,28-,29-/m1/s1 |
| InChIKey | JJIZLCQMLRAKMR-DQCVOJHCSA-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 | 2q5xkbHbNF7 |
|---|---|
| Name | ENT-15-BETA-CINNAMOYLOXY-7-ALPHA-HYDROXY-KAUR-16-EN-19-OIC-ACID |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H36O5 |
| InChI | InChI=1S/C29H36O5/c1-18-20-11-12-21-27(2)14-7-15-28(3,26(32)33)22(27)16-23(30)29(21,17-20)25(18)34-24(31)13-10-19-8-5-4-6-9-19/h4-6,8-10,13,20-23,25,30H,1,7,11-12,14-17H2,2-3H3,(H,32,33)/b13-10+/t20-,21+,22+,23+,25+,27+,28-,29-/m1/s1 |
| InChIKey | JJIZLCQMLRAKMR-DQCVOJHCSA-N |
| Literature Reference Author | G.O.LOBITZ,G.TAMAYO-CASTILLO,L.POVEDA,I.MERFORT |
| Literature Reference Citation | PHYTOCHEM.,49,805(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(97)01013-3 |
| Molecular Weight | 464.602 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU327 |