| SpectraBase Compound ID | BYyDClKpaZH |
|---|---|
| InChI | InChI=1S/C43H72O17/c1-19(2)42(56,18-57-35-33(53)31(51)29(49)22(15-44)58-35)10-9-20(3)28-21(46)14-39(5)24-7-8-25-40(6,37(55)60-36-34(54)32(52)30(50)23(16-45)59-36)26(47)13-27(48)43(25)17-41(24,43)12-11-38(28,39)4/h19-36,44-54,56H,7-18H2,1-6H3/t20-,21?,22?,23?,24+,25?,26+,27+,28+,29?,30?,31?,32?,33?,34?,35?,36?,38-,39+,40+,41+,42-,43-/m1/s1 |
| InChIKey | JRBZRACFBGYSHE-PHRDBRBUSA-N |
| Mol Weight | 861.0 g/mol |
| Molecular Formula | C43H72O17 |
| Exact Mass | 860.476951 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I3bBaw6KHHV |
|---|---|
| Name | CYCLOPASSIFLOSIDE-IX |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H72O17 |
| InChI | InChI=1S/C43H72O17/c1-19(2)42(56,18-57-35-33(53)31(51)29(49)22(15-44)58-35)10-9-20(3)28-21(46)14-39(5)24-7-8-25-40(6,37(55)60-36-34(54)32(52)30(50)23(16-45)59-36)26(47)13-27(48)43(25)17-41(24,43)12-11-38(28,39)4/h19-36,44-54,56H,7-18H2,1-6H3/t20-,21?,22?,23?,24+,25?,26+,27+,28+,29?,30?,31?,32?,33?,34?,35?,36?,38-,39+,40+,41+,42-,43-/m1/s1 |
| InChIKey | JRBZRACFBGYSHE-PHRDBRBUSA-N |
| Literature Reference Author | K.YOSHIKAWA,S.KATSUTA,J.MIZUMORI,S.ARIHARA |
| Literature Reference Citation | J.NAT.PROD.,63,1377(2000) |
| Literature Reference DOI | 10.1021/np000182a |
| Molecular Weight | 861.034 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWRU2199 |