| SpectraBase Compound ID | 5kRrT6Vnb5d |
|---|---|
| InChI | InChI=1S/C36H62O10/c1-31(2)23(40)10-11-33(5)22-9-8-18-24-25(32(3,4)44)19(39)14-36(24,17-38)13-12-34(18,6)35(22,7)15-20(29(31)33)45-30-28(43)27(42)26(41)21(16-37)46-30/h18-30,37-44H,8-17H2,1-7H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,27-,28+,29+,30+,33-,34-,35-,36+/m1/s1 |
| InChIKey | WBJXYKRVQLRDEY-HPGBRMMESA-N |
| Mol Weight | 654.9 g/mol |
| Molecular Formula | C36H62O10 |
| Exact Mass | 654.434298 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1eRTM9NBjCU |
|---|---|
| Name | SCHEFFLERIN-C;LUPANE-3-BETA,6-ALPHA,20,21-ALPHA,28-PENTAOL-6-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H62O10 |
| InChI | InChI=1S/C36H62O10/c1-31(2)23(40)10-11-33(5)22-9-8-18-24-25(32(3,4)44)19(39)14-36(24,17-38)13-12-34(18,6)35(22,7)15-20(29(31)33)45-30-28(43)27(42)26(41)21(16-37)46-30/h18-30,37-44H,8-17H2,1-7H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,27-,28+,29+,30+,33-,34-,35-,36+/m1/s1 |
| InChIKey | WBJXYKRVQLRDEY-HPGBRMMESA-N |
| Literature Reference Author | Z.ZHAO,K.MATSUNAMI,H.OTSUKA,T.SHINZATO,Y.TAKEDA,M.KAWAHATA,K .YAMAGUCHI |
| Literature Reference Citation | CHEM.PHARM.BULL.,58,1343(2010) |
| Literature Reference DOI | 10.1248/cpb.58.1343 |
| Molecular Weight | 654.882 g/mol |
| Source File Reference | UWBT3920 |