| SpectraBase Compound ID | 1VA67iZARo7 |
|---|---|
| InChI | InChI=1S/C29H34O17/c1-9-17(32)21(36)23(38)28(43-9)42-8-15-18(33)22(37)24(39)29(45-15)46-27-20(35)16-14(7-12(31)26(41-3)19(16)34)44-25(27)10-4-5-11(30)13(6-10)40-2/h4-7,9,15,17-18,21-24,28-34,36-39H,8H2,1-3H3/t9-,15+,17-,18-,21+,22-,23+,24+,28+,29-/m0/s1 |
| InChIKey | GYMVARJSAYZGSZ-JRHXFWIGSA-N |
| Mol Weight | 654.6 g/mol |
| Molecular Formula | C29H34O17 |
| Exact Mass | 654.1796 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2PppuYFG9ac |
|---|---|
| Name | SPINACETIN_3-O-ROBINOBIOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H34O17 |
| InChI | InChI=1S/C29H34O17/c1-9-17(32)21(36)23(38)28(43-9)42-8-15-18(33)22(37)24(39)29(45-15)46-27-20(35)16-14(7-12(31)26(41-3)19(16)34)44-25(27)10-4-5-11(30)13(6-10)40-2/h4-7,9,15,17-18,21-24,28-34,36-39H,8H2,1-3H3/t9-,15+,17-,18-,21+,22-,23+,24+,28+,29-/m0/s1 |
| InChIKey | GYMVARJSAYZGSZ-JRHXFWIGSA-N |
| Literature Reference Author | D.DE_OLIVEIRA,A.P.DE_ALMEIDA,G.L.SIMOES,C.AUVIN,C.R.KAISER,S .S.COSTA |
| Literature Reference Citation | PLANTA.MED.,69,382(2003) |
| Literature Reference DOI | 10.1055/s-2003-38885 |
| Molecular Weight | 654.579 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UIAP1938 |