| SpectraBase Compound ID | 2jefqOWfyrh |
|---|---|
| InChI | InChI=1S/C34H46O7/c1-31(2)15-8-16-32(3)25(31)13-17-33(4)26(32)14-18-34(39,21-35)27(33)20-24(36)23-19-29(38)41-30(23)40-28(37)12-11-22-9-6-5-7-10-22/h5-7,9-12,19,24-27,30,35-36,39H,8,13-18,20-21H2,1-4H3/b12-11+/t24?,25-,26+,27+,30?,32-,33+,34+/m0/s1 |
| InChIKey | SXPHINZZVYORPV-PBOGHPFPSA-N |
| Mol Weight | 566.7 g/mol |
| Molecular Formula | C34H46O7 |
| Exact Mass | 566.324354 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IdkCv1D2Vyq |
|---|---|
| Name | 25-O-CINNAMOYLVULGAROSIDE |
| CAS Registry Number | 172616-90-9 |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H46O7 |
| InChI | InChI=1S/C34H46O7/c1-31(2)15-8-16-32(3)25(31)13-17-33(4)26(32)14-18-34(39,21-35)27(33)20-24(36)23-19-29(38)41-30(23)40-28(37)12-11-22-9-6-5-7-10-22/h5-7,9-12,19,24-27,30,35-36,39H,8,13-18,20-21H2,1-4H3/b12-11+/t24?,25-,26+,27+,30?,32-,33+,34+/m0/s1 |
| InChIKey | SXPHINZZVYORPV-PBOGHPFPSA-N |
| Literature Reference Author | N.DETOMMASI,F.DESIMONE,C.PIZZA,N.MAHMOOD |
| Literature Reference Citation | J.NAT.PROD.,59,267(1996) |
| Literature Reference DOI | 10.1021/np9600513 |
| Molecular Weight | 566.735 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVP2333 |