| SpectraBase Compound ID | G4f6Xgckcb |
|---|---|
| InChI | InChI=1S/C44H62N2O11/c1-10-12-14-22-34-43(6,7)33(48)26-44(54,57-34)30(11-2)41(52)45-24-18-17-20-28(4)39(55-9)29(5)40-38(51)37(50)32(56-40)21-16-13-15-19-27(3)36(49)35-31(47)23-25-46(8)42(35)53/h10,12-23,25,29-30,32-34,37-40,47-48,50-51,54H,11,24,26H2,1-9H3,(H,45,52)/b12-10-,15-13+,18-17+,21-16+,22-14+,27-19+,28-20+/t29?,30?,32?,33-,34-,37?,38?,39?,40?,44-/m0/s1 |
| InChIKey | VKGDSUWMXCVJEA-FQLRULAXSA-N |
| Mol Weight | 795.0 g/mol |
| Molecular Formula | C44H62N2O11 |
| Exact Mass | 794.435361 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B0vHLcIdUFf |
|---|---|
| Name | HENEICOMYCIN |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H62N2O11 |
| InChI | InChI=1S/C44H62N2O11/c1-10-12-14-22-34-43(6,7)33(48)26-44(54,57-34)30(11-2)41(52)45-24-18-17-20-28(4)39(55-9)29(5)40-38(51)37(50)32(56-40)21-16-13-15-19-27(3)36(49)35-31(47)23-25-46(8)42(35)53/h10,12-23,25,29-30,32-34,37-40,47-48,50-51,54H,11,24,26H2,1-9H3,(H,45,52)/b12-10-,15-13+,18-17+,21-16+,22-14+,27-19+,28-20+/t29?,30?,32?,33-,34-,37?,38?,39?,40?,44-/m0/s1 |
| InChIKey | VKGDSUWMXCVJEA-FQLRULAXSA-N |
| Literature Reference Author | R.S.DEWEY,O.D.HENSENS,A.W.DOUGLAS,G.ALBERS-SCHOENBERG |
| Literature Reference Citation | J.ANTIBIOTICS,44,838(1991) |
| Literature Reference DOI | 10.7164/antibiotics.44.838 |
| Molecular Weight | 794.983 g/mol |
| Sample ID | 66536 |
| Solvent | CD3OD |