| SpectraBase Compound ID | KL0Q1WsrqOn |
|---|---|
| InChI | InChI=1S/C42H68O16/c1-19-9-12-42(36(53)58-35-31(52)29(50)27(48)23(17-44)56-35)14-13-39(4)20(32(42)41(19,6)54)7-8-25-37(2)15-21(46)33(38(3,18-45)24(37)10-11-40(25,39)5)57-34-30(51)28(49)26(47)22(16-43)55-34/h7,19,21-35,43-52,54H,8-18H2,1-6H3/t19-,21-,22-,23-,24?,25?,26-,27-,28+,29+,30-,31-,32?,33+,34+,35+,37+,38+,39-,40-,41-,42+/m1/s1 |
| InChIKey | IUKIKTWUNCHTKO-YEMOBTJGSA-N |
| Mol Weight | 829.0 g/mol |
| Molecular Formula | C42H68O16 |
| Exact Mass | 828.450736 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L4Wh89CA2xh |
|---|---|
| Name | 3,28-BIS-O-GLUCOSYL-19-ALPHA-HYDROXYASIATIC-ACID |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H68O16 |
| InChI | InChI=1S/C42H68O16/c1-19-9-12-42(36(53)58-35-31(52)29(50)27(48)23(17-44)56-35)14-13-39(4)20(32(42)41(19,6)54)7-8-25-37(2)15-21(46)33(38(3,18-45)24(37)10-11-40(25,39)5)57-34-30(51)28(49)26(47)22(16-43)55-34/h7,19,21-35,43-52,54H,8-18H2,1-6H3/t19-,21-,22-,23-,24?,25?,26-,27-,28+,29+,30-,31-,32?,33+,34+,35+,37+,38+,39-,40-,41-,42+/m1/s1 |
| InChIKey | IUKIKTWUNCHTKO-YEMOBTJGSA-N |
| Literature Reference Author | F.ABE,T.YAMAUCHI |
| Literature Reference Citation | CHEM.PHARM.BULL.,35,1748(1987) |
| Literature Reference DOI | 10.1248/cpb.35.1748 |
| Molecular Weight | 828.992 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWBK108 |