| SpectraBase Compound ID | JnCPSWGCxtk |
|---|---|
| InChI | InChI=1S/C36H40O9/c1-18-7-8-21-33(43)28(44-5)16-30(42)36(21,31-15-26(41)32-25(40)11-20(38)12-27(32)45-31)22(18)13-23-19(2)24(39)14-29-34(3,17-37)9-6-10-35(23,29)4/h7,11-12,15-16,21-23,29,37-38,40H,2,6,8-10,13-14,17H2,1,3-5H3/t21-,22+,23-,29-,34-,35+,36-/m0/s1 |
| InChIKey | PWTMVZNHDPRWEA-DBPDRVKCSA-N |
| Mol Weight | 616.7 g/mol |
| Molecular Formula | C36H40O9 |
| Exact Mass | 616.267233 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FUhQZd2u6ks |
|---|---|
| Name | DICHROSTACHINE_I |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H40O9 |
| InChI | InChI=1S/C36H40O9/c1-18-7-8-21-33(43)28(44-5)16-30(42)36(21,31-15-26(41)32-25(40)11-20(38)12-27(32)45-31)22(18)13-23-19(2)24(39)14-29-34(3,17-37)9-6-10-35(23,29)4/h7,11-12,15-16,21-23,29,37-38,40H,2,6,8-10,13-14,17H2,1,3-5H3/t21-,22+,23-,29-,34-,35+,36-/m0/s1 |
| InChIKey | PWTMVZNHDPRWEA-DBPDRVKCSA-N |
| Literature Reference Author | C.LONG,L.MARCOURT,R.RAUX,B.DAVID,C.GAU,C.MENENDEZ,M.GAO,M.F. LAROCHE,P.SCHAMBEL,C |
| Literature Reference Citation | J.NAT.PROD.,72,1804(2009) |
| Literature Reference DOI | 10.1021/np900095z |
| Molecular Weight | 616.708 g/mol |
| Sample ID | 33693 |
| Solvent | CD3OD:CDCl3=9:1 |