| SpectraBase Compound ID | BdXl0XcyP1D |
|---|---|
| InChI | InChI=1S/C49H74N10O12/c1-9-27(3)24-37-46(66)59-38(48(69)70)26-41(61)55-35(17-14-22-52-49(50)51)45(65)56-34(19-18-28(4)23-29(5)39(71-8)25-32-15-12-11-13-16-32)30(6)42(62)57-36(47(67)68)20-21-40(60)54-33(10-2)44(64)53-31(7)43(63)58-37/h10-13,15-16,18-19,23,27,29-31,34-39H,9,14,17,20-22,24-26H2,1-8H3,(H,53,64)(H,54,60)(H,55,61)(H,56,65)(H,57,62)(H,58,63)(H,59,66)(H,67,68)(H,69,70)(H4,50,51,52)/b19-18+,28-23+,33-10-/t27-,29+,30-,31+,34-,35-,36+,37-,38+,39+/m0/s1 |
| InChIKey | CJBURLKHSGYKKJ-ASXZPXSWSA-N |
| Mol Weight | 995.2 g/mol |
| Molecular Formula | C49H74N10O12 |
| Exact Mass | 994.548768 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9lNKipSc1IY |
|---|---|
| Name | (E)-DHB-MICROCYSTIN |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H74N10O12 |
| InChI | InChI=1S/C49H74N10O12/c1-9-27(3)24-37-46(66)59-38(48(69)70)26-41(61)55-35(17-14-22-52-49(50)51)45(65)56-34(19-18-28(4)23-29(5)39(71-8)25-32-15-12-11-13-16-32)30(6)42(62)57-36(47(67)68)20-21-40(60)54-33(10-2)44(64)53-31(7)43(63)58-37/h10-13,15-16,18-19,23,27,29-31,34-39H,9,14,17,20-22,24-26H2,1-8H3,(H,53,64)(H,54,60)(H,55,61)(H,56,65)(H,57,62)(H,58,63)(H,59,66)(H,67,68)(H,69,70)(H4,50,51,52)/b19-18+,28-23+,33-10-/t27-,29+,30-,31+,34-,35-,36+,37-,38+,39+/m0/s1 |
| InChIKey | CJBURLKHSGYKKJ-ASXZPXSWSA-N |
| Literature Reference Author | T.SANO,H.TAKAGI,K.KAYA |
| Literature Reference Citation | PHYTOCHEM.,65,2159(2004) |
| Literature Reference DOI | 10.1016/j.phytochem.2004.03.034 |
| Molecular Weight | 995.186 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU32821 |