![[D-ASP3,(Z)-DHB7]-MICROCYSTIN-HTYR](/api/spectrum/27K4HrsXdDQ/structure.png?h=300&w=458 "[D-ASP3,(Z)-DHB7]-MICROCYSTIN-HTYR")
| SpectraBase Compound ID | J1QPrSILuL3 |
|---|---|
| InChI | InChI=1S/C52H72N10O13/c1-7-36-47(68)56-32(5)46(67)60-39(22-18-33-16-19-35(63)20-17-33)49(70)62-41(51(73)74)28-44(65)58-38(14-11-25-55-52(53)54)48(69)59-37(31(4)45(66)61-40(50(71)72)23-24-43(64)57-36)21-15-29(2)26-30(3)42(75-6)27-34-12-9-8-10-13-34/h7-10,12-13,15-17,19-21,26,30-32,37-42,63H,11,14,18,22-25,27-28H2,1-6H3,(H,56,68)(H,57,64)(H,58,65)(H,59,69)(H,60,67)(H,61,66)(H,62,70)(H,71,72)(H,73,74)(H4,53,54,55)/b21-15+,29-26+,36-7-/t30?,31-,32+,37-,38-,39-,40+,41+,42?/m0/s1 |
| InChIKey | VRSPDCJDWOZKSK-METIXWLWSA-N |
| Mol Weight | 1045.2 g/mol |
| Molecular Formula | C52H72N10O13 |
| Exact Mass | 1044.528032 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 27K4HrsXdDQ |
|---|---|
| Name | [D-ASP3,(Z)-DHB7]-MICROCYSTIN-HTYR |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H72N10O13 |
| InChI | InChI=1S/C52H72N10O13/c1-7-36-47(68)56-32(5)46(67)60-39(22-18-33-16-19-35(63)20-17-33)49(70)62-41(51(73)74)28-44(65)58-38(14-11-25-55-52(53)54)48(69)59-37(31(4)45(66)61-40(50(71)72)23-24-43(64)57-36)21-15-29(2)26-30(3)42(75-6)27-34-12-9-8-10-13-34/h7-10,12-13,15-17,19-21,26,30-32,37-42,63H,11,14,18,22-25,27-28H2,1-6H3,(H,56,68)(H,57,64)(H,58,65)(H,59,69)(H,60,67)(H,61,66)(H,62,70)(H,71,72)(H,73,74)(H4,53,54,55)/b21-15+,29-26+,36-7-/t30?,31-,32+,37-,38-,39-,40+,41+,42?/m0/s1 |
| InChIKey | VRSPDCJDWOZKSK-METIXWLWSA-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 | 1045.203 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWCP540 |