| SpectraBase Compound ID | 4z8o9nsAZz2 |
|---|---|
| InChI | InChI=1S/C41H60N8O10/c1-8-31-38(54)48-34(40(57)58)26(5)36(52)46-29(15-12-20-44-41(42)43)37(53)45-28(25(4)35(51)47-30(39(55)56)18-19-33(50)49(31)6)17-16-23(2)21-24(3)32(59-7)22-27-13-10-9-11-14-27/h8-11,13-14,16-17,21,24-26,28-30,32,34H,12,15,18-20,22H2,1-7H3,(H,45,53)(H,46,52)(H,47,51)(H,48,54)(H,55,56)(H,57,58)(H4,42,43,44)/b17-16+,23-21+,31-8-/t24-,25+,26-,28+,29+,30-,32-,34-/m1/s1 |
| InChIKey | IXBQSRWSVIBXNC-HMUDOHQOSA-N |
| Mol Weight | 825.0 g/mol |
| Molecular Formula | C41H60N8O10 |
| Exact Mass | 824.44324 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DexIEmWbPL2 |
|---|---|
| Name | NODULARIN |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H60N8O10 |
| InChI | InChI=1S/C41H60N8O10/c1-8-31-38(54)48-34(40(57)58)26(5)36(52)46-29(15-12-20-44-41(42)43)37(53)45-28(25(4)35(51)47-30(39(55)56)18-19-33(50)49(31)6)17-16-23(2)21-24(3)32(59-7)22-27-13-10-9-11-14-27/h8-11,13-14,16-17,21,24-26,28-30,32,34H,12,15,18-20,22H2,1-7H3,(H,45,53)(H,46,52)(H,47,51)(H,48,54)(H,55,56)(H,57,58)(H4,42,43,44)/b17-16+,23-21+,31-8-/t24-,25+,26-,28+,29+,30-,32-,34-/m1/s1 |
| InChIKey | IXBQSRWSVIBXNC-HMUDOHQOSA-N |
| Literature Reference Author | M.NAMIKOSHI,B.W.CHOI,R.SAKAI,F.SUN,K.L.RINEHART,W.W.CARMICHA EL,W.R.EVANS,P.CRUZ, |
| Literature Reference Citation | J.ORG.CHEM.,59,2349(1994) |
| Literature Reference DOI | 10.1021/jo00088a014 |
| Molecular Weight | 824.975 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWCP1289 |