| SpectraBase Compound ID | Gvha7t8DQq5 |
|---|---|
| InChI | InChI=1S/C31H52O8/c1-17(2)30(39,16-32)12-10-27(5,38)23-18(33)14-26(4)19-7-8-20-28(6,24(36)37)21(34)13-22(35)31(20)15-29(19,31)11-9-25(23,26)3/h17-23,32-35,38-39H,7-16H2,1-6H3,(H,36,37)/t18?,19-,20?,21-,22-,23-,25+,26-,27-,28-,29-,30+,31+/m0/s1 |
| InChIKey | DXAVXXNAJINCIJ-KDRICRJUSA-N |
| Mol Weight | 552.7 g/mol |
| Molecular Formula | C31H52O8 |
| Exact Mass | 552.366219 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3RoGVHA3m6Y |
|---|---|
| Name | CYCLOPASSIFLOIC-ACID-E;20(S),24(S)-1-ALPHA,3-BETA,16-BETA-20,24,31-HEXAHYDROXY-24-METHYLCYCLOARTAN-28-OIC-ACID |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H52O8 |
| InChI | InChI=1S/C31H52O8/c1-17(2)30(39,16-32)12-10-27(5,38)23-18(33)14-26(4)19-7-8-20-28(6,24(36)37)21(34)13-22(35)31(20)15-29(19,31)11-9-25(23,26)3/h17-23,32-35,38-39H,7-16H2,1-6H3,(H,36,37)/t18?,19-,20?,21-,22-,23-,25+,26-,27-,28-,29-,30+,31+/m0/s1 |
| InChIKey | DXAVXXNAJINCIJ-KDRICRJUSA-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 | 552.749 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWRU2194 |