| SpectraBase Compound ID | QwPWyAllXa |
|---|---|
| InChI | InChI=1S/C42H44O13/c1-24-22-31(50-25(2)43)34(51-26(3)44)41(23-49-37(46)28-16-10-7-11-17-28)36(54-39(48)30-20-14-9-15-21-30)33(53-38(47)29-18-12-8-13-19-29)32-35(52-27(4)45)42(24,41)55-40(32,5)6/h7-21,24,31-36H,22-23H2,1-6H3/t24-,31+,32-,33+,34+,35-,36+,41+,42-/m1/s1 |
| InChIKey | BFFBXPBHYOLSOD-LTAVTJKKSA-N |
| Mol Weight | 756.8 g/mol |
| Molecular Formula | C42H44O13 |
| Exact Mass | 756.278191 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7U1HBcuv88s |
|---|---|
| Name | 8-BENZOYLOXYMUTANGIN |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H44O13 |
| InChI | InChI=1S/C42H44O13/c1-24-22-31(50-25(2)43)34(51-26(3)44)41(23-49-37(46)28-16-10-7-11-17-28)36(54-39(48)30-20-14-9-15-21-30)33(53-38(47)29-18-12-8-13-19-29)32-35(52-27(4)45)42(24,41)55-40(32,5)6/h7-21,24,31-36H,22-23H2,1-6H3/t24-,31+,32-,33+,34+,35-,36+,41+,42-/m1/s1 |
| InChIKey | BFFBXPBHYOLSOD-LTAVTJKKSA-N |
| Literature Reference Author | J.J.CHEN,C.S.YANG,C.F.PENG,I.S.CHEN,C.L.MIAW |
| Literature Reference Citation | J.NAT.PROD.,71,1016(2008) |
| Literature Reference DOI | 10.1021/np800097t |
| Molecular Weight | 756.804 g/mol |
| Sample ID | 28073 |
| Solvent | CDCl3 |