| SpectraBase Compound ID | 9nBsoCCoUoD |
|---|---|
| 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-/m0/s1 |
| InChIKey | KZIQZLSHACGNHX-JLRAIIHGSA-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 | l3Sx36mgX7 |
|---|---|
| Name | 3-BETA-GALACTOPYRANOSYL-BETA-D-GLUCOPYRANOSYL-3-O-OLEANOLIC-ACID;ARVENSOSIDE-B |
| Compound Number | 1 |
| 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-/m0/s1 |
| InChIKey | KZIQZLSHACGNHX-JLRAIIHGSA-N |
| Literature Reference Author | W.SEEBACHER,R.WEIS,J.JURENITSCH,K.RAUCHENSTEINER,E.HASLINGER |
| Literature Reference Citation | MH.CHEM.,131,985(2000) |
| Literature Reference DOI | 10.1007/s007060070055 |
| Molecular Weight | 780.994 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWRU1377 |