![3-O-BETA-[GLUCURONOPYRANOSYL]-METHYL-SPERGULAGENATE](/api/spectrum/IpLUaGEy6uA/structure.png?h=300&w=458 "3-O-BETA-[GLUCURONOPYRANOSYL]-METHYL-SPERGULAGENATE")
| SpectraBase Compound ID | G6HZzNoY3Ag |
|---|---|
| InChI | InChI=1S/C37H56O11/c1-32(2)21-10-13-36(6)22(34(21,4)12-11-23(32)47-29-26(40)24(38)25(39)27(48-29)28(41)42)9-8-19-20-18-33(3,31(45)46-7)14-16-37(20,30(43)44)17-15-35(19,36)5/h8,20-27,29,38-40H,9-18H2,1-7H3,(H,41,42)(H,43,44)/t20?,21?,22?,23-,24-,25-,26+,27-,29+,33-,34-,35+,36+,37-/m0/s1 |
| InChIKey | AYVNWDSXMFBLOM-CZQBOAOTSA-N |
| Mol Weight | 676.8 g/mol |
| Molecular Formula | C37H56O11 |
| Exact Mass | 676.382263 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IpLUaGEy6uA |
|---|---|
| Name | 3-O-BETA-[GLUCURONOPYRANOSYL]-METHYL-SPERGULAGENATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H56O11 |
| InChI | InChI=1S/C37H56O11/c1-32(2)21-10-13-36(6)22(34(21,4)12-11-23(32)47-29-26(40)24(38)25(39)27(48-29)28(41)42)9-8-19-20-18-33(3,31(45)46-7)14-16-37(20,30(43)44)17-15-35(19,36)5/h8,20-27,29,38-40H,9-18H2,1-7H3,(H,41,42)(H,43,44)/t20?,21?,22?,23-,24-,25-,26+,27-,29+,33-,34-,35+,36+,37-/m0/s1 |
| InChIKey | AYVNWDSXMFBLOM-CZQBOAOTSA-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 | 676.845 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1329 |