![3-O-BETA-[XYLOPYRANOSYL-(1->2)-[RHAMNOPYRANOSYL-(1->3)]-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID-28-O-GLUCOPYRANOSYLESTER](/api/spectrum/7DIJvBEw8hU/structure.png?h=300&w=458 "3-O-BETA-[XYLOPYRANOSYL-(1->2)-[RHAMNOPYRANOSYL-(1->3)]-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID-28-O-GLUCOPYRANOSYLESTER")
| SpectraBase Compound ID | 6J1W6owHfUs |
|---|---|
| InChI | InChI=1S/C53H84O22/c1-22-30(56)33(59)36(62)44(69-22)72-39-38(64)40(42(65)66)73-46(41(39)74-43-35(61)31(57)25(55)21-68-43)71-29-12-13-50(6)27(49(29,4)5)11-14-52(8)28(50)10-9-23-24-19-48(2,3)15-17-53(24,18-16-51(23,52)7)47(67)75-45-37(63)34(60)32(58)26(20-54)70-45/h9,22,24-41,43-46,54-64H,10-21H2,1-8H3,(H,65,66)/t22-,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 | KJUYGRKBLRHDHL-DJMBJOLESA-N |
| Mol Weight | 1073.2 g/mol |
| Molecular Formula | C53H84O22 |
| Exact Mass | 1072.545424 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7DIJvBEw8hU |
|---|---|
| Name | 3-O-BETA-[XYLOPYRANOSYL-(1->2)-[RHAMNOPYRANOSYL-(1->3)]-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID-28-O-GLUCOPYRANOSYLESTER |
| Compound Number | 154 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H84O22 |
| InChI | InChI=1S/C53H84O22/c1-22-30(56)33(59)36(62)44(69-22)72-39-38(64)40(42(65)66)73-46(41(39)74-43-35(61)31(57)25(55)21-68-43)71-29-12-13-50(6)27(49(29,4)5)11-14-52(8)28(50)10-9-23-24-19-48(2,3)15-17-53(24,18-16-51(23,52)7)47(67)75-45-37(63)34(60)32(58)26(20-54)70-45/h9,22,24-41,43-46,54-64H,10-21H2,1-8H3,(H,65,66)/t22-,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 | KJUYGRKBLRHDHL-DJMBJOLESA-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 | 1073.237 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1271 |