| SpectraBase Compound ID | JIEVAmeD57G |
|---|---|
| InChI | InChI=1S/C36H62O9/c1-31(2)23(38)12-14-33(5)22-10-9-19-25-18(32(3,4)43)11-13-34(25,6)24(39)16-35(19,7)36(22,8)15-20(29(31)33)44-30-28(42)27(41)26(40)21(17-37)45-30/h18-30,37-43H,9-17H2,1-8H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,27-,28+,29+,30+,33-,34-,35-,36-/m1/s1 |
| InChIKey | IATAKIFKHHLHBV-UMHQRASMSA-N |
| Mol Weight | 638.9 g/mol |
| Molecular Formula | C36H62O9 |
| Exact Mass | 638.439384 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fds2zAxhzia |
|---|---|
| Name | SCHEFFLERIN-D;LUPANE-3-BETA,6-ALPHA,16-BETA,20-TETRAOL-6-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H62O9 |
| InChI | InChI=1S/C36H62O9/c1-31(2)23(38)12-14-33(5)22-10-9-19-25-18(32(3,4)43)11-13-34(25,6)24(39)16-35(19,7)36(22,8)15-20(29(31)33)44-30-28(42)27(41)26(40)21(17-37)45-30/h18-30,37-43H,9-17H2,1-8H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,27-,28+,29+,30+,33-,34-,35-,36-/m1/s1 |
| InChIKey | IATAKIFKHHLHBV-UMHQRASMSA-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 | 638.883 g/mol |
| Source File Reference | UWBT3921 |