| SpectraBase Compound ID | ALqI2VXWat7 |
|---|---|
| InChI | InChI=1S/C32H42O15/c1-4-16(2)29(40)47-30-25-21(11-23(36)32(25,41)15-44-17(3)34)19(13-42-30)14-43-31-28(27(39)26(38)22(12-33)45-31)46-24(37)10-7-18-5-8-20(35)9-6-18/h5-10,13,16,21-23,25-28,30-31,33,35-36,38-39,41H,4,11-12,14-15H2,1-3H3/b10-7-/t16?,21-,22+,23+,25-,26+,27-,28+,30+,31+,32-/m1/s1 |
| InChIKey | AAPLRLFRMAAIBE-BSLVDIQTSA-N |
| Mol Weight | 666.7 g/mol |
| Molecular Formula | C32H42O15 |
| Exact Mass | 666.252371 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DZojNEKK8OR |
|---|---|
| Name | ISOVIBURTINOSIDE-III |
| Compound Number | 318 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H42O15 |
| InChI | InChI=1S/C32H42O15/c1-4-16(2)29(40)47-30-25-21(11-23(36)32(25,41)15-44-17(3)34)19(13-42-30)14-43-31-28(27(39)26(38)22(12-33)45-31)46-24(37)10-7-18-5-8-20(35)9-6-18/h5-10,13,16,21-23,25-28,30-31,33,35-36,38-39,41H,4,11-12,14-15H2,1-3H3/b10-7-/t16?,21-,22+,23+,25-,26+,27-,28+,30+,31+,32-/m1/s1 |
| InChIKey | AAPLRLFRMAAIBE-BSLVDIQTSA-N |
| Literature Reference Author | B.DINDA,S.DEBNATH,Y.HARIGAYA |
| Literature Reference Citation | CHEM.PHARM.BULL.,55,159(2007) |
| Literature Reference DOI | 10.1248/cpb.55.159 |
| Molecular Weight | 666.676 g/mol |
| Sample ID | 38114 |
| Solvent | CD3OD |