![(R)-6-HYDROXYMELLEIN-6-O-BETA-D-[5-O-(4-METHOXYBENZOYL)]-APIOFURANOSYL-(1->6)-BETA-D-GLUCOPYRANOSIDE](/api/spectrum/BfqPfS0cXVL/structure.png?h=300&w=458 "(R)-6-HYDROXYMELLEIN-6-O-BETA-D-[5-O-(4-METHOXYBENZOYL)]-APIOFURANOSYL-(1->6)-BETA-D-GLUCOPYRANOSIDE")
| SpectraBase Compound ID | I3W99YQ53DZ |
|---|---|
| InChI | InChI=1S/C29H34O15/c1-13-7-15-8-17(9-18(30)20(15)26(36)42-13)43-27-23(33)22(32)21(31)19(44-27)10-39-28-24(34)29(37,12-41-28)11-40-25(35)14-3-5-16(38-2)6-4-14/h3-6,8-9,13,19,21-24,27-28,30-34,37H,7,10-12H2,1-2H3/t13-,19-,21-,22+,23-,24+,27-,28-,29-/m1/s1 |
| InChIKey | GSZGJTIWTWKADX-WBADQZIMSA-N |
| Mol Weight | 622.6 g/mol |
| Molecular Formula | C29H34O15 |
| Exact Mass | 622.18977 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BfqPfS0cXVL |
|---|---|
| Name | (R)-6-HYDROXYMELLEIN-6-O-BETA-D-[5-O-(4-METHOXYBENZOYL)]-APIOFURANOSYL-(1->6)-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H34O15 |
| InChI | InChI=1S/C29H34O15/c1-13-7-15-8-17(9-18(30)20(15)26(36)42-13)43-27-23(33)22(32)21(31)19(44-27)10-39-28-24(34)29(37,12-41-28)11-40-25(35)14-3-5-16(38-2)6-4-14/h3-6,8-9,13,19,21-24,27-28,30-34,37H,7,10-12H2,1-2H3/t13-,19-,21-,22+,23-,24+,27-,28-,29-/m1/s1 |
| InChIKey | GSZGJTIWTWKADX-WBADQZIMSA-N |
| Literature Reference Author | T.WARASHINA,Y.NAGATANI,T.NORO |
| Literature Reference Citation | CHEM.PHARM.BULL.,54,14(2006) |
| Literature Reference DOI | 10.1248/cpb.54.14 |
| Molecular Weight | 622.580 g/mol |
| Sample ID | 54778 |
| Solvent | CD3OD |