![3-O-[O-BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANOSYL]-OLEANOLIC_ACID](/api/spectrum/1Ydp3UNg3fw/structure.png?h=300&w=458 "3-O-[O-BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANOSYL]-OLEANOLIC_ACID")
| SpectraBase Compound ID | A0XsXadcGpZ |
|---|---|
| InChI | InChI=1S/C42H68O13/c1-37(2)14-16-42(36(50)51)17-15-40(6)21(22(42)18-37)8-9-26-39(5)12-11-27(38(3,4)25(39)10-13-41(26,40)7)54-35-32(49)33(29(46)24(20-44)53-35)55-34-31(48)30(47)28(45)23(19-43)52-34/h8,22-35,43-49H,9-20H2,1-7H3,(H,50,51)/t22?,23-,24-,25?,26?,27+,28-,29-,30+,31-,32-,33+,34+,35+,39?,40?,41?,42?/m1/s1 |
| InChIKey | KZIQZLSHACGNHX-ZYDXAUDASA-N |
| Mol Weight | 781.0 g/mol |
| Molecular Formula | C42H68O13 |
| Exact Mass | 780.465992 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1Ydp3UNg3fw |
|---|---|
| Name | 3-O-[O-BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANOSYL]-OLEANOLIC_ACID |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H68O13 |
| InChI | InChI=1S/C42H68O13/c1-37(2)14-16-42(36(50)51)17-15-40(6)21(22(42)18-37)8-9-26-39(5)12-11-27(38(3,4)25(39)10-13-41(26,40)7)54-35-32(49)33(29(46)24(20-44)53-35)55-34-31(48)30(47)28(45)23(19-43)52-34/h8,22-35,43-49H,9-20H2,1-7H3,(H,50,51)/t22?,23-,24-,25?,26?,27+,28-,29-,30+,31-,32-,33+,34+,35+,39?,40?,41?,42?/m1/s1 |
| InChIKey | KZIQZLSHACGNHX-ZYDXAUDASA-N |
| Literature Reference Author | E.LEMMICH,C.CORNETT,P.FURU,C.L.JORSTIAN,A.D.KNUDSEN,C.E.OLSE N,A.SALIH,S.T.THIILB |
| Literature Reference Citation | PHYTOCHEM.,39,63(1995) |
| Literature Reference DOI | 10.1016/0031-9422(94)00866-R |
| Molecular Weight | 780.994 g/mol |
| Solvent | Unknown |
| Source File Reference | UWMZ8302 |