| SpectraBase Compound ID | CcsSmj7fZVe |
|---|---|
| InChI | InChI=1S/C45H68N10O9/c1-6-28(4)37-40(59)48-25-11-10-15-32(51-45(64)52-34(43(62)63)16-12-26-49-44(46)47)38(57)53-36(27(2)3)41(60)50-33(23-19-29-13-8-7-9-14-29)42(61)55(5)35(39(58)54-37)24-20-30-17-21-31(56)22-18-30/h7-9,13-14,17-18,21-22,27-28,32-37,56H,6,10-12,15-16,19-20,23-26H2,1-5H3,(H,48,59)(H,50,60)(H,53,57)(H,54,58)(H,62,63)(H4,46,47,49)(H2,51,52,64)/p+1/t28-,32+,33-,34-,35-,36-,37-/m0/s1 |
| InChIKey | ZAPKLLKIVMKJFJ-RCYTZTELSA-O |
| Mol Weight | 894.1 g/mol |
| Molecular Formula | C45H69N10O9 |
| Exact Mass | 893.524899 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KKDY0qsBDXj |
|---|---|
| Name | ANABAENOPEPTIN_HU892 |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H69N10O9 |
| InChI | InChI=1S/C45H68N10O9/c1-6-28(4)37-40(59)48-25-11-10-15-32(51-45(64)52-34(43(62)63)16-12-26-49-44(46)47)38(57)53-36(27(2)3)41(60)50-33(23-19-29-13-8-7-9-14-29)42(61)55(5)35(39(58)54-37)24-20-30-17-21-31(56)22-18-30/h7-9,13-14,17-18,21-22,27-28,32-37,56H,6,10-12,15-16,19-20,23-26H2,1-5H3,(H,48,59)(H,50,60)(H,53,57)(H,54,58)(H,62,63)(H4,46,47,49)(H2,51,52,64)/p+1/t28-,32+,33-,34-,35-,36-,37-/m0/s1 |
| InChIKey | ZAPKLLKIVMKJFJ-RCYTZTELSA-O |
| Literature Reference Author | S.GESNER-APTER,S.CARMELI |
| Literature Reference Citation | J.NAT.PROD.,72,1429(2009) |
| Literature Reference DOI | 10.1021/np900340t |
| Molecular Weight | 894.104 g/mol |
| Sample ID | 33342 |
| Solvent | DMSO-D6 |