![3-O-[BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID](/api/spectrum/FAMa2jfykkI/structure.png?h=300&w=458 "3-O-[BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID")
| SpectraBase Compound ID | 4VQSlfaMjos |
|---|---|
| InChI | InChI=1S/C42H66O14/c1-37(2)14-16-42(36(51)52)17-15-40(6)20(21(42)18-37)8-9-24-39(5)12-11-25(38(3,4)23(39)10-13-41(24,40)7)54-35-30(48)28(46)31(32(56-35)33(49)50)55-34-29(47)27(45)26(44)22(19-43)53-34/h8,21-32,34-35,43-48H,9-19H2,1-7H3,(H,49,50)(H,51,52)/t21?,22-,23?,24?,25-,26-,27+,28+,29-,30+,31-,32-,34+,35+,39-,40+,41+,42-/m0/s1 |
| InChIKey | OFLDMHFCMNKHGN-CWWJKAPMSA-N |
| Mol Weight | 795.0 g/mol |
| Molecular Formula | C42H66O14 |
| Exact Mass | 794.445257 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FAMa2jfykkI |
|---|---|
| Name | 3-O-[BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H66O14 |
| InChI | InChI=1S/C42H66O14/c1-37(2)14-16-42(36(51)52)17-15-40(6)20(21(42)18-37)8-9-24-39(5)12-11-25(38(3,4)23(39)10-13-41(24,40)7)54-35-30(48)28(46)31(32(56-35)33(49)50)55-34-29(47)27(45)26(44)22(19-43)53-34/h8,21-32,34-35,43-48H,9-19H2,1-7H3,(H,49,50)(H,51,52)/t21?,22-,23?,24?,25-,26-,27+,28+,29-,30+,31-,32-,34+,35+,39-,40+,41+,42-/m0/s1 |
| InChIKey | OFLDMHFCMNKHGN-CWWJKAPMSA-N |
| Literature Reference Author | V.D.HUAN,S.YAMAMURA,K.OHTANI,R.KASAI,K.YAMASAKI,N.T.NHAM,H.M .CHAU |
| Literature Reference Citation | PHYTOCHEM.,47,451(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00618-3 |
| Molecular Weight | 794.978 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS183 |