| SpectraBase Compound ID | 3SmLP0EHFpf |
|---|---|
| InChI | InChI=1S/C36H48O8/c1-23(37)42-22-36(41)19-15-28-34(4)17-9-16-33(2,3)27(34)14-18-35(28,5)29(36)21-26(38)25-20-31(40)44-32(25)43-30(39)13-12-24-10-7-6-8-11-24/h6-8,10-13,20,26-29,32,38,41H,9,14-19,21-22H2,1-5H3/b13-12+/t26?,27-,28+,29+,32?,34-,35+,36+/m0/s1 |
| InChIKey | IMXZIJOCFAKDPZ-LAQTYACCSA-N |
| Mol Weight | 608.8 g/mol |
| Molecular Formula | C36H48O8 |
| Exact Mass | 608.334918 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3MGUtBZv6Ot |
|---|---|
| Name | 24-O-ACETYL-25-O-CINNAMOYLVULGAROSIDE |
| CAS Registry Number | 172616-89-6 |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H48O8 |
| InChI | InChI=1S/C36H48O8/c1-23(37)42-22-36(41)19-15-28-34(4)17-9-16-33(2,3)27(34)14-18-35(28,5)29(36)21-26(38)25-20-31(40)44-32(25)43-30(39)13-12-24-10-7-6-8-11-24/h6-8,10-13,20,26-29,32,38,41H,9,14-19,21-22H2,1-5H3/b13-12+/t26?,27-,28+,29+,32?,34-,35+,36+/m0/s1 |
| InChIKey | IMXZIJOCFAKDPZ-LAQTYACCSA-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 | 608.772 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVP2332 |