![3-O-BETA-[RHAMNOPYRANOSYL-(1->2)-GLUCOPYRANOSYL-(1->3)-[XYLOPYRANOSYL-(1->4)]-(6-O-METHYL)-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID](/api/spectrum/4o05UgvqLie/structure.png?h=300&w=458 "3-O-BETA-[RHAMNOPYRANOSYL-(1->2)-GLUCOPYRANOSYL-(1->3)-[XYLOPYRANOSYL-(1->4)]-(6-O-METHYL)-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID")
| SpectraBase Compound ID | 3AMyhF2gmFt |
|---|---|
| InChI | InChI=1S/C54H86O22/c1-23-31(57)34(60)37(63)45(70-23)74-40-35(61)33(59)27(21-55)71-47(40)73-39-38(64)46(76-42(43(65)68-9)41(39)75-44-36(62)32(58)26(56)22-69-44)72-30-13-14-51(6)28(50(30,4)5)12-15-53(8)29(51)11-10-24-25-20-49(2,3)16-18-54(25,48(66)67)19-17-52(24,53)7/h10,23,25-42,44-47,55-64H,11-22H2,1-9H3,(H,66,67)/t23-,25?,26-,27?,28?,29?,30+,31-,32+,33+,34+,35-,36-,37+,38-,39-,40+,41+,42+,44+,45-,46-,47-,51+,52-,53-,54+/m1/s1 |
| InChIKey | CNMUUPWRHFEGDA-MSNJNYAUSA-N |
| Mol Weight | 1087.3 g/mol |
| Molecular Formula | C54H86O22 |
| Exact Mass | 1086.561074 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4o05UgvqLie |
|---|---|
| Name | 3-O-BETA-[RHAMNOPYRANOSYL-(1->2)-GLUCOPYRANOSYL-(1->3)-[XYLOPYRANOSYL-(1->4)]-(6-O-METHYL)-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H86O22 |
| InChI | InChI=1S/C54H86O22/c1-23-31(57)34(60)37(63)45(70-23)74-40-35(61)33(59)27(21-55)71-47(40)73-39-38(64)46(76-42(43(65)68-9)41(39)75-44-36(62)32(58)26(56)22-69-44)72-30-13-14-51(6)28(50(30,4)5)12-15-53(8)29(51)11-10-24-25-20-49(2,3)16-18-54(25,48(66)67)19-17-52(24,53)7/h10,23,25-42,44-47,55-64H,11-22H2,1-9H3,(H,66,67)/t23-,25?,26-,27?,28?,29?,30+,31-,32+,33+,34+,35-,36-,37+,38-,39-,40+,41+,42+,44+,45-,46-,47-,51+,52-,53-,54+/m1/s1 |
| InChIKey | CNMUUPWRHFEGDA-MSNJNYAUSA-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 | 1087.264 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1190 |