| SpectraBase Compound ID | DkIBYkLJwI2 |
|---|---|
| InChI | InChI=1S/C37H62O12/c1-18(2)36(47,17-39)10-9-19(3)26-20(40)14-33(5)22-7-8-23-34(6,31(46)49-30-29(45)28(44)27(43)21(15-38)48-30)24(41)13-25(42)37(23)16-35(22,37)12-11-32(26,33)4/h18-30,38-45,47H,7-17H2,1-6H3/t19-,20?,21?,22+,23?,24+,25+,26+,27?,28?,29?,30?,32-,33+,34+,35+,36+,37-/m1/s1 |
| InChIKey | AJYLEJBHVLQJTI-KMBRCTJLSA-N |
| Mol Weight | 698.9 g/mol |
| Molecular Formula | C37H62O12 |
| Exact Mass | 698.424127 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JQ8M7xldJ9W |
|---|---|
| Name | CYCLOPASSIFLOSIDE-X |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H62O12 |
| InChI | InChI=1S/C37H62O12/c1-18(2)36(47,17-39)10-9-19(3)26-20(40)14-33(5)22-7-8-23-34(6,31(46)49-30-29(45)28(44)27(43)21(15-38)48-30)24(41)13-25(42)37(23)16-35(22,37)12-11-32(26,33)4/h18-30,38-45,47H,7-17H2,1-6H3/t19-,20?,21?,22+,23?,24+,25+,26+,27?,28?,29?,30?,32-,33+,34+,35+,36+,37-/m1/s1 |
| InChIKey | AJYLEJBHVLQJTI-KMBRCTJLSA-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 | 698.892 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWRU2200 |