![[D-ASP3,(Z)-DHB7]-MICROCYSTIN-LR](/api/spectrum/FNqMIVzbWVq/structure.png?h=300&w=458 "[D-ASP3,(Z)-DHB7]-MICROCYSTIN-LR")
| SpectraBase Compound ID | IA5oEoT0thS |
|---|---|
| InChI | InChI=1S/C49H74N10O12/c1-9-33-44(64)53-31(7)43(63)57-36(19-17-27(2)3)46(66)59-38(48(69)70)26-41(61)55-35(16-13-23-52-49(50)51)45(65)56-34(30(6)42(62)58-37(47(67)68)21-22-40(60)54-33)20-18-28(4)24-29(5)39(71-8)25-32-14-11-10-12-15-32/h9-12,14-15,18,20,24,27,29-31,34-39H,13,16-17,19,21-23,25-26H2,1-8H3,(H,53,64)(H,54,60)(H,55,61)(H,56,65)(H,57,63)(H,58,62)(H,59,66)(H,67,68)(H,69,70)(H4,50,51,52)/b20-18+,28-24+,33-9-/t29?,30-,31+,34-,35-,36-,37+,38+,39?/m0/s1 |
| InChIKey | UJXOFCVEZJEEPR-JGUCGFIESA-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 | FNqMIVzbWVq |
|---|---|
| Name | [D-ASP3,(Z)-DHB7]-MICROCYSTIN-LR |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H74N10O12 |
| InChI | InChI=1S/C49H74N10O12/c1-9-33-44(64)53-31(7)43(63)57-36(19-17-27(2)3)46(66)59-38(48(69)70)26-41(61)55-35(16-13-23-52-49(50)51)45(65)56-34(30(6)42(62)58-37(47(67)68)21-22-40(60)54-33)20-18-28(4)24-29(5)39(71-8)25-32-14-11-10-12-15-32/h9-12,14-15,18,20,24,27,29-31,34-39H,13,16-17,19,21-23,25-26H2,1-8H3,(H,53,64)(H,54,60)(H,55,61)(H,56,65)(H,57,63)(H,58,62)(H,59,66)(H,67,68)(H,69,70)(H4,50,51,52)/b20-18+,28-24+,33-9-/t29?,30-,31+,34-,35-,36-,37+,38+,39?/m0/s1 |
| InChIKey | UJXOFCVEZJEEPR-JGUCGFIESA-N |
| Literature Reference Author | T.SANO,K.A.BEATTIE,G.A.CODD,K.KAYA |
| Literature Reference Citation | J.NAT.PROD.,61,851(1998) |
| Literature Reference DOI | 10.1021/np980047m |
| Molecular Weight | 995.186 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWCP541 |