| SpectraBase Compound ID | D9l12cZVjyn |
|---|---|
| InChI | InChI=1S/C48H76O20/c1-43(2)12-14-48(42(61)68-40-33(58)30(55)29(54)25(18-49)64-40)15-13-46(5)21(22(48)16-43)8-9-27-44(3)17-23(51)37(45(4,20-50)26(44)10-11-47(27,46)6)67-41-34(59)31(56)35(36(66-41)38(60)62-7)65-39-32(57)28(53)24(52)19-63-39/h8,22-37,39-41,49-59H,9-20H2,1-7H3/t22?,23-,24+,25+,26?,27?,28+,29+,30-,31+,32-,33+,34+,35-,36-,37-,39+,40-,41-,44-,45-,46+,47+,48-/m0/s1 |
| InChIKey | XXZXVBSPBWKPAH-RJCBSSSPSA-N |
| Mol Weight | 973.1 g/mol |
| Molecular Formula | C48H76O20 |
| Exact Mass | 972.492995 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HnJevkrrBFY |
|---|---|
| Name | 3-O-BETA-[ARABINOPYRANOSYL-(1->4)-(6-O-METHYL)-GLUCURONOPYRANOSYL]-BAYOGENIN-28-O-GLUCOPYRANOSYLESTER |
| Compound Number | 117 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H76O20 |
| InChI | InChI=1S/C48H76O20/c1-43(2)12-14-48(42(61)68-40-33(58)30(55)29(54)25(18-49)64-40)15-13-46(5)21(22(48)16-43)8-9-27-44(3)17-23(51)37(45(4,20-50)26(44)10-11-47(27,46)6)67-41-34(59)31(56)35(36(66-41)38(60)62-7)65-39-32(57)28(53)24(52)19-63-39/h8,22-37,39-41,49-59H,9-20H2,1-7H3/t22?,23-,24+,25+,26?,27?,28+,29+,30-,31+,32-,33+,34+,35-,36-,37-,39+,40-,41-,44-,45-,46+,47+,48-/m0/s1 |
| InChIKey | XXZXVBSPBWKPAH-RJCBSSSPSA-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 | 973.119 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1005 |