| SpectraBase Compound ID | 2AfUkjciEoa |
|---|---|
| InChI | InChI=1S/C31H34O14/c1-28-13-30(38)20-11-31(28,29(20,27(44-28)45-30)14-41-24(36)15-6-4-3-5-7-15)43-26-23(35)22(34)21(33)19(42-26)12-40-25(37)16-8-9-17(32)18(10-16)39-2/h3-10,19-23,26-27,32-35,38H,11-14H2,1-2H3/t19-,20+,21-,22+,23-,26+,27+,28-,29-,30+,31-/m0/s1 |
| InChIKey | WQDKJKKWQBBKSZ-XTATXPNQSA-N |
| Mol Weight | 630.6 g/mol |
| Molecular Formula | C31H34O14 |
| Exact Mass | 630.194856 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8Sqft5rlRyw |
|---|---|
| Name | 6'-O-VANILLYLPAEONIFLORIN |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H34O14 |
| InChI | InChI=1S/C31H34O14/c1-28-13-30(38)20-11-31(28,29(20,27(44-28)45-30)14-41-24(36)15-6-4-3-5-7-15)43-26-23(35)22(34)21(33)19(42-26)12-40-25(37)16-8-9-17(32)18(10-16)39-2/h3-10,19-23,26-27,32-35,38H,11-14H2,1-2H3/t19-,20+,21-,22+,23-,26+,27+,28-,29-,30+,31-/m0/s1 |
| InChIKey | WQDKJKKWQBBKSZ-XTATXPNQSA-N |
| Literature Reference Author | T.TANAKA,M.KATAOKA,N.TSUBOI,I.KOUNO |
| Literature Reference Citation | CHEM.PHARM.BULL.,48,201(2000) |
| Literature Reference DOI | 10.1248/cpb.48.201 |
| Molecular Weight | 630.603 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU4902 |