| SpectraBase Compound ID | FGpkxFTPCbL |
|---|---|
| InChI | InChI=1S/C31H36O8/c1-18-16-17-22(37-27(34)20-12-8-6-9-13-20)30(5)26(38-28(35)21-14-10-7-11-15-21)24(33)23-25(36-19(2)32)31(18,30)39-29(23,3)4/h6-15,18,22-26,33H,16-17H2,1-5H3/t18-,22+,23-,24-,25+,26-,30+,31-/m1/s1 |
| InChIKey | UUBGPQONOFTRCE-FQKKMNGFSA-N |
| Mol Weight | 536.6 g/mol |
| Molecular Formula | C31H36O8 |
| Exact Mass | 536.241018 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DfCqMndvHMq |
|---|---|
| Name | CELAFOLIN-D2 |
| Copyright | Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H36O8 |
| InChI | InChI=1S/C31H36O8/c1-18-16-17-22(37-27(34)20-12-8-6-9-13-20)30(5)26(38-28(35)21-14-10-7-11-15-21)24(33)23-25(36-19(2)32)31(18,30)39-29(23,3)4/h6-15,18,22-26,33H,16-17H2,1-5H3/t18-,22+,23-,24-,25+,26-,30+,31-/m1/s1 |
| InChIKey | UUBGPQONOFTRCE-FQKKMNGFSA-N |
| Literature Reference Author | Y.TAKAISHI,S.OHSHIMA,K.NAKANO,T.TOMIMATSU,H.TOKUDA,H.NISHINO ,A.IWASHIMA |
| Literature Reference Citation | J.NAT.PROD.,56,815(1993) |
| Literature Reference DOI | 10.1021/np50096a003 |
| Molecular Weight | 536.622 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS4115 |
| SpectraBase Batch ID | 8Yb6cSVuSnC |