| SpectraBase Compound ID | 7uYM3nfz51H |
|---|---|
| InChI | InChI=1S/C27H42O7/c1-16(29)33-23-17(13-22(31)34-23)18(30)14-21-26(5)11-7-19-24(2,3)9-6-10-25(19,4)20(26)8-12-27(21,32)15-28/h13,18-21,23,28,30,32H,6-12,14-15H2,1-5H3/t18?,19-,20+,21+,23?,25-,26+,27+/m0/s1 |
| InChIKey | QNZZHRCSGTYEAW-REXWJDRESA-N |
| Mol Weight | 478.6 g/mol |
| Molecular Formula | C27H42O7 |
| Exact Mass | 478.293054 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CGPEAkR0nPB |
|---|---|
| Name | 25-O-ACETYLVULGAROSIDE |
| CAS Registry Number | 172616-88-5 |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H42O7 |
| InChI | InChI=1S/C27H42O7/c1-16(29)33-23-17(13-22(31)34-23)18(30)14-21-26(5)11-7-19-24(2,3)9-6-10-25(19,4)20(26)8-12-27(21,32)15-28/h13,18-21,23,28,30,32H,6-12,14-15H2,1-5H3/t18?,19-,20+,21+,23?,25-,26+,27+/m0/s1 |
| InChIKey | QNZZHRCSGTYEAW-REXWJDRESA-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 | 478.626 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVP2331 |