| SpectraBase Compound ID | BsebD4E37YA |
|---|---|
| InChI | InChI=1S/C36H52O13/c1-17-4-7-23-22-8-6-20(12-19(22)5-9-24(23)26(40)11-10-25(17)39)27-13-21(38)14-29(46-27)48-34-18(2)45-30(15-36(34,3)44)49-35-33(43)32(42)31(41)28(16-37)47-35/h6,8,12-13,17-18,23-26,28-35,37,39-44H,4-5,7,9-11,14-16H2,1-3H3/t17?,18-,23?,24?,25+,26+,28+,29?,30-,31+,32-,33+,34-,35-,36-/m1/s1 |
| InChIKey | NAZZAFIPVGOMFP-CLGDSFIISA-N |
| Mol Weight | 692.8 g/mol |
| Molecular Formula | C36H52O13 |
| Exact Mass | 692.340792 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BasB73URwlR |
|---|---|
| Name | CAROLINOSIDE;3-O-(ALPHA-PENTULOPYRANOSYL)-(1->4)-O-(BETA-L-ARABINOPYRANOSYL)-(1->1)-D-GLUCOPYRANOSYL-C-[(2,4,5-TRIDEOXY-3-KETO-4,5-DEHYDRO)- |
| Compound Number | 1-BETA |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H52O13 |
| InChI | InChI=1S/C36H52O13/c1-17-4-7-23-22-8-6-20(12-19(22)5-9-24(23)26(40)11-10-25(17)39)27-13-21(38)14-29(46-27)48-34-18(2)45-30(15-36(34,3)44)49-35-33(43)32(42)31(41)28(16-37)47-35/h6,8,12-13,17-18,23-26,28-35,37,39-44H,4-5,7,9-11,14-16H2,1-3H3/t17?,18-,23?,24?,25+,26+,28+,29?,30-,31+,32-,33+,34-,35-,36-/m1/s1 |
| InChIKey | NAZZAFIPVGOMFP-CLGDSFIISA-N |
| Literature Reference Author | J.D.THACKER,J.BORDNER,C.BUMGARDNER |
| Literature Reference Citation | PHYTOCHEM.,29,2965(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)87116-C |
| Molecular Weight | 692.801 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ17704 |