| SpectraBase Compound ID | EVUycsN1S3L |
|---|---|
| InChI | InChI=1S/C36H56O12/c1-31(2)9-11-36(30(45)46)12-10-34(5)17(18(36)13-31)7-8-21-32(3)14-20(39)27(33(4,16-37)26(32)19(38)15-35(21,34)6)48-29-24(42)22(40)23(41)25(47-29)28(43)44/h7,18-27,29,37-42H,8-16H2,1-6H3,(H,43,44)(H,45,46)/t18?,19-,20+,21?,22+,23+,24-,25+,26?,27+,29+,32-,33+,34-,35-,36+/m1/s1 |
| InChIKey | JKGUGEPOACDCDC-YCEDYPFUSA-N |
| Mol Weight | 680.8 g/mol |
| Molecular Formula | C36H56O12 |
| Exact Mass | 680.377177 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Aby6m5QcMqK |
|---|---|
| Name | 3-O-BETA-GLUCURONOPYRANOSYL-PROTOBASSIC-ACID |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H56O12 |
| InChI | InChI=1S/C36H56O12/c1-31(2)9-11-36(30(45)46)12-10-34(5)17(18(36)13-31)7-8-21-32(3)14-20(39)27(33(4,16-37)26(32)19(38)15-35(21,34)6)48-29-24(42)22(40)23(41)25(47-29)28(43)44/h7,18-27,29,37-42H,8-16H2,1-6H3,(H,43,44)(H,45,46)/t18?,19-,20+,21?,22+,23+,24-,25+,26?,27+,29+,32-,33+,34-,35-,36+/m1/s1 |
| InChIKey | JKGUGEPOACDCDC-YCEDYPFUSA-N |
| Literature Reference Author | N.TAN,J.ZHOU,S.ZHAO |
| Literature Reference Citation | PHYTOCHEM.,52,153(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00454-3 |
| Molecular Weight | 680.833 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1281 |