| SpectraBase Compound ID | CvsPBwgVPhm |
|---|---|
| InChI | InChI=1S/C38H64O12/c1-19(2)37(47,18-49-31-30(45)29(44)28(43)22(16-39)50-31)11-10-20(3)27-21(40)15-34(5)23-8-9-24-35(6,32(46)48-7)25(41)14-26(42)38(24)17-36(23,38)13-12-33(27,34)4/h19-31,39-45,47H,8-18H2,1-7H3/t20-,21-,22-,23+,24?,25+,26+,27+,28-,29+,30-,31-,33-,34+,35+,36+,37?,38-/m1/s1 |
| InChIKey | RFADSSZJEUFCHS-MZTZBAJTSA-N |
| Mol Weight | 712.9 g/mol |
| Molecular Formula | C38H64O12 |
| Exact Mass | 712.439777 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CHLme1OWRwF |
|---|---|
| Name | 31-O-BETA-D-GLUCOPYRANOSYL-CYClOTRICUSPIDOGENIN-C-METHYLESTER |
| Compound Number | 3C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H64O12 |
| InChI | InChI=1S/C38H64O12/c1-19(2)37(47,18-49-31-30(45)29(44)28(43)22(16-39)50-31)11-10-20(3)27-21(40)15-34(5)23-8-9-24-35(6,32(46)48-7)25(41)14-26(42)38(24)17-36(23,38)13-12-33(27,34)4/h19-31,39-45,47H,8-18H2,1-7H3/t20-,21-,22-,23+,24?,25+,26+,27+,28-,29+,30-,31-,33-,34+,35+,36+,37?,38-/m1/s1 |
| InChIKey | RFADSSZJEUFCHS-MZTZBAJTSA-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 | 712.919 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWUC495 |