| SpectraBase Compound ID | HZSQ7KwqnzP |
|---|---|
| InChI | InChI=1S/C49H78O21/c1-44(2)12-14-49(43(63)70-41-34(60)31(57)29(55)25(19-51)66-41)15-13-47(5)21(22(49)16-44)8-9-27-45(3)17-23(53)38(46(4,20-52)26(45)10-11-48(27,47)6)69-42-35(61)32(58)36(37(68-42)39(62)64-7)67-40-33(59)30(56)28(54)24(18-50)65-40/h8,22-38,40-42,50-61H,9-20H2,1-7H3/t22?,23-,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 | MPNRJIRWXQFDSC-NHPWVXPXSA-N |
| Mol Weight | 1003.1 g/mol |
| Molecular Formula | C49H78O21 |
| Exact Mass | 1002.50356 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KBkUxcYDFMv |
|---|---|
| Name | 28-O-BETA-D-GLUCOPYRANOSYL-BAYOGENIN-3-O-BETA-D-GALACTOPYRANOSYL-(1->4)-6'-O-METHYL-BETA-D-GLUCURONOPYRANOSIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H78O21 |
| InChI | InChI=1S/C49H78O21/c1-44(2)12-14-49(43(63)70-41-34(60)31(57)29(55)25(19-51)66-41)15-13-47(5)21(22(49)16-44)8-9-27-45(3)17-23(53)38(46(4,20-52)26(45)10-11-48(27,47)6)69-42-35(61)32(58)36(37(68-42)39(62)64-7)67-40-33(59)30(56)28(54)24(18-50)65-40/h8,22-38,40-42,50-61H,9-20H2,1-7H3/t22?,23-,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 | MPNRJIRWXQFDSC-NHPWVXPXSA-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 | 1003.146 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU3693 |