| SpectraBase Compound ID | imSJL97pjH |
|---|---|
| InChI | InChI=1S/C49H78O20/c1-44(2)14-16-49(43(62)69-41-35(59)32(56)30(54)25(20-51)65-41)17-15-47(5)22(23(49)18-44)8-9-27-45(3)12-11-28(46(4,21-52)26(45)10-13-48(27,47)6)66-42-36(60)33(57)37(38(68-42)39(61)63-7)67-40-34(58)31(55)29(53)24(19-50)64-40/h8,23-38,40-42,50-60H,9-21H2,1-7H3/t23?,24-,25+,26?,27?,28-,29+,30+,31+,32-,33+,34-,35+,36+,37-,38-,40+,41-,42+,45-,46-,47+,48+,49-/m0/s1 |
| InChIKey | YMNYNVCHEXAJCH-YEQONPJWSA-N |
| Mol Weight | 987.1 g/mol |
| Molecular Formula | C49H78O20 |
| Exact Mass | 986.508645 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D1vkWNiqYe9 |
|---|---|
| Name | 28-O-BETA-D-GLUCOPYRANOSYL-HEDERAGENIN-3-O-BETA-D-GALACTOPYRANOSYL-(1->4)-6'-O-METHYL-BETA-D-GLUCURONOPYRANOSIDE |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H78O20 |
| InChI | InChI=1S/C49H78O20/c1-44(2)14-16-49(43(62)69-41-35(59)32(56)30(54)25(20-51)65-41)17-15-47(5)22(23(49)18-44)8-9-27-45(3)12-11-28(46(4,21-52)26(45)10-13-48(27,47)6)66-42-36(60)33(57)37(38(68-42)39(61)63-7)67-40-34(58)31(55)29(53)24(19-50)64-40/h8,23-38,40-42,50-60H,9-21H2,1-7H3/t23?,24-,25+,26?,27?,28-,29+,30+,31+,32-,33+,34-,35+,36+,37-,38-,40+,41-,42+,45-,46-,47+,48+,49-/m0/s1 |
| InChIKey | YMNYNVCHEXAJCH-YEQONPJWSA-N |
| Literature Reference Author | F.ABE,T.YAMAUCHI,H.SHIBUYA,I.KITAGAWA |
| Literature Reference Citation | PHYTOCHEM.,42,809(1996) |
| Literature Reference DOI | 10.1016/0031-9422(96)00003-9 |
| Molecular Weight | 987.146 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU3697 |