| SpectraBase Compound ID | 6APFXuRxcNS |
|---|---|
| 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)54-35-32(28(46)26(44)22(19-43)53-35)56-34-30(48)27(45)29(47)31(55-34)33(49)50/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 | SLVSCWTYLPDYQK-IMGQINELSA-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 | EgvXaglCFW8 |
|---|---|
| Name | 3-O-[BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL]-OLEANOLIC-ACID |
| Compound Number | 2 |
| 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)54-35-32(28(46)26(44)22(19-43)53-35)56-34-30(48)27(45)29(47)31(55-34)33(49)50/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 | SLVSCWTYLPDYQK-IMGQINELSA-N |
| Literature Reference Author | C.M.MA,N.NAKAMURA,M.HATTORI |
| Literature Reference Citation | CHEM.PHARM.BULL.,46,982(1998) |
| Literature Reference DOI | 10.1248/cpb.46.982 |
| Molecular Weight | 794.978 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS6480 |