| SpectraBase Compound ID | CtbPEXBvu3V |
|---|---|
| InChI | InChI=1S/C38H64O11/c1-20(2)37(46,19-48-31-30(44)29(43)28(42)23(17-39)49-31)13-10-21(3)22-11-12-34(5)24-8-9-25-35(6,32(45)47-7)26(40)16-27(41)38(25)18-36(24,38)15-14-33(22,34)4/h20-31,39-44,46H,8-19H2,1-7H3/t21-,22-,23-,24+,25?,26+,27+,28-,29+,30-,31-,33-,34+,35+,36+,37?,38-/m1/s1 |
| InChIKey | UAGYYQRDSIXHFQ-VOVKFRIQSA-N |
| Mol Weight | 696.9 g/mol |
| Molecular Formula | C38H64O11 |
| Exact Mass | 696.444863 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FjCG6sEriHE |
|---|---|
| Name | 31-O-BETA-D-GLUCOPYRANOSYL-CYClOTRICUSPIDOGENIN-A-METHYLESTER |
| Compound Number | 1C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H64O11 |
| InChI | InChI=1S/C38H64O11/c1-20(2)37(46,19-48-31-30(44)29(43)28(42)23(17-39)49-31)13-10-21(3)22-11-12-34(5)24-8-9-25-35(6,32(45)47-7)26(40)16-27(41)38(25)18-36(24,38)15-14-33(22,34)4/h20-31,39-44,46H,8-19H2,1-7H3/t21-,22-,23-,24+,25?,26+,27+,28-,29+,30-,31-,33-,34+,35+,36+,37?,38-/m1/s1 |
| InChIKey | UAGYYQRDSIXHFQ-VOVKFRIQSA-N |
| Literature Reference Author | R.KASAI,A.SASAKI,T.HASHIMOTO,T.KANEKO,K.OHTANI,K.YAMASAKI |
| Literature Reference Citation | PHYTOCHEM.,51,803(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(99)00078-3 |
| Molecular Weight | 696.920 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWUC486 |