| SpectraBase Compound ID | 1YFlrL3icpA |
|---|---|
| InChI | InChI=1S/C29H38O16/c1-26-10-28(38)15-7-29(26,27(15,25(44-26)45-28)11-40-22(37)12-5-3-2-4-6-12)43-24-21(36)19(34)17(32)14(42-24)9-39-23-20(35)18(33)16(31)13(8-30)41-23/h2-6,13-21,23-25,30-36,38H,7-11H2,1H3/t13-,14-,15+,16-,17-,18+,19+,20-,21-,23+,24+,25+,26-,27-,28+,29-/m0/s1 |
| InChIKey | XDSDFGIAGIOVGG-CNLVXVPCSA-N |
| Mol Weight | 642.6 g/mol |
| Molecular Formula | C29H38O16 |
| Exact Mass | 642.215985 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2CmTI2dVily |
|---|---|
| Name | ISOMALTOPAEONIFLORIN |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H38O16 |
| InChI | InChI=1S/C29H38O16/c1-26-10-28(38)15-7-29(26,27(15,25(44-26)45-28)11-40-22(37)12-5-3-2-4-6-12)43-24-21(36)19(34)17(32)14(42-24)9-39-23-20(35)18(33)16(31)13(8-30)41-23/h2-6,13-21,23-25,30-36,38H,7-11H2,1H3/t13-,14-,15+,16-,17-,18+,19+,20-,21-,23+,24+,25+,26-,27-,28+,29-/m0/s1 |
| InChIKey | XDSDFGIAGIOVGG-CNLVXVPCSA-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 | 642.611 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU4904 |