| SpectraBase Compound ID | DKpFmRTbSXN |
|---|---|
| InChI | InChI=1S/C29H40O7/c1-18(14-26(33)34)12-13-28(3)19(2)24(32)16-29(4)21(6-5-7-25(28)29)17-36-27(35)11-9-20-8-10-22(30)23(31)15-20/h6,8-11,15,18-19,24-25,30-32H,5,7,12-14,16-17H2,1-4H3,(H,33,34)/b11-9+/t18-,19+,24+,25+,28+,29-/m0/s1 |
| InChIKey | WBXJTEOASUIUIA-LQEFLMOMSA-N |
| Mol Weight | 500.6 g/mol |
| Molecular Formula | C29H40O7 |
| Exact Mass | 500.277404 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8rwO23wCPHs |
|---|---|
| Name | ENT-(18E)-CAFFEOYLOXY-7-BETA-HYDROXY-3-CLERODEN-15-OIC-ACID |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H40O7 |
| InChI | InChI=1S/C29H40O7/c1-18(14-26(33)34)12-13-28(3)19(2)24(32)16-29(4)21(6-5-7-25(28)29)17-36-27(35)11-9-20-8-10-22(30)23(31)15-20/h6,8-11,15,18-19,24-25,30-32H,5,7,12-14,16-17H2,1-4H3,(H,33,34)/b11-9+/t18-,19+,24+,25+,28+,29-/m0/s1 |
| InChIKey | WBXJTEOASUIUIA-LQEFLMOMSA-N |
| Literature Reference Author | L.MAMBU,P.GRELLIER,L.FLORENT,R.JOYEAU,D.RAMANITRAHASIMBOLA,P .RASOANAIVO,F.FRAPPI |
| Literature Reference Citation | PHYTOCHEM.,67,444(2006) |
| Literature Reference DOI | 10.1016/j.phytochem.2005.11.024 |
| Molecular Weight | 500.632 g/mol |
| Sample ID | 66054 |
| Solvent | CD3OD |