| SpectraBase Compound ID | 6Nw5MFYu1Bv |
|---|---|
| InChI | InChI=1S/C42H38O9/c1-48-35-22-36-37(42-39(35)33(47)21-34(50-42)24-5-13-28(44)14-6-24)32-20-31(19-4-23-2-11-27(43)12-3-23)49-40(25-7-15-29(45)16-8-25)38(32)41(51-36)26-9-17-30(46)18-10-26/h2-3,5-18,22,31-32,34,38,40-41,43-46H,4,19-21H2,1H3/t31-,32-,34?,38-,40+,41-/m0/s1 |
| InChIKey | VIDHFKRYBXNWLN-OMQYIVAFSA-N |
| Mol Weight | 686.8 g/mol |
| Molecular Formula | C42H38O9 |
| Exact Mass | 686.251583 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 99D8apIPvPk |
|---|---|
| Name | CALYXIN-J |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H38O9 |
| InChI | InChI=1S/C42H38O9/c1-48-35-22-36-37(42-39(35)33(47)21-34(50-42)24-5-13-28(44)14-6-24)32-20-31(19-4-23-2-11-27(43)12-3-23)49-40(25-7-15-29(45)16-8-25)38(32)41(51-36)26-9-17-30(46)18-10-26/h2-3,5-18,22,31-32,34,38,40-41,43-46H,4,19-21H2,1H3/t31-,32-,34?,38-,40+,41-/m0/s1 |
| InChIKey | VIDHFKRYBXNWLN-OMQYIVAFSA-N |
| Literature Reference Author | Y.TEZUKA,M.B.GEWALI,M.S.ALI,A.H.BANSKOTA,S.KADOTA |
| Literature Reference Citation | J.NAT.PROD.,64,208(2001) |
| Literature Reference DOI | 10.1021/np000492t |
| Molecular Weight | 686.758 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWRU3863 |