| SpectraBase Compound ID | 3a0XMaMmKmx |
|---|---|
| InChI | InChI=1S/C53H84O23/c1-48(2)14-16-53(47(68)76-43-37(63)30(56)24(55)20-69-43)17-15-51(6)22(23(53)18-48)8-9-28-50(5)12-11-29(49(3,4)27(50)10-13-52(28,51)7)73-44-38(64)34(60)32(58)26(72-44)21-70-46-41(36(62)35(61)40(74-46)42(66)67)75-45-39(65)33(59)31(57)25(19-54)71-45/h8,23-41,43-46,54-65H,9-21H2,1-7H3,(H,66,67)/t23-,24+,25+,26+,27-,28+,29-,30-,31+,32+,33-,34-,35-,36-,37+,38+,39+,40-,41+,43-,44-,45-,46+,50-,51+,52+,53-/m0/s1 |
| InChIKey | ONZJEHSXUQSQCU-FCZQWRMYSA-N |
| Mol Weight | 1089.2 g/mol |
| Molecular Formula | C53H84O23 |
| Exact Mass | 1088.540339 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9v7YSyJMcLY |
|---|---|
| Name | 3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL-28-O-BETA-D-XYLOPYRANOSYL-OLEAN-12-EN-28-OIC-ACIDESTER |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H84O23 |
| InChI | InChI=1S/C53H84O23/c1-48(2)14-16-53(47(68)76-43-37(63)30(56)24(55)20-69-43)17-15-51(6)22(23(53)18-48)8-9-28-50(5)12-11-29(49(3,4)27(50)10-13-52(28,51)7)73-44-38(64)34(60)32(58)26(72-44)21-70-46-41(36(62)35(61)40(74-46)42(66)67)75-45-39(65)33(59)31(57)25(19-54)71-45/h8,23-41,43-46,54-65H,9-21H2,1-7H3,(H,66,67)/t23-,24+,25+,26+,27-,28+,29-,30-,31+,32+,33-,34-,35-,36-,37+,38+,39+,40-,41+,43-,44-,45-,46+,50-,51+,52+,53-/m0/s1 |
| InChIKey | ONZJEHSXUQSQCU-FCZQWRMYSA-N |
| Literature Reference Author | Y.N.SHUKLA,R.S.THAKUR,P.PACHALY |
| Literature Reference Citation | PHYTOCHEM.,31,1046(1992) |
| Literature Reference DOI | 10.1016/0031-9422(92)80071-l |
| Molecular Weight | 1089.236 g/mol |
| Solvent | Unknown |
| Source File Reference | UWVN5054 |