| SpectraBase Compound ID | 99UnzimXLZg |
|---|---|
| InChI | InChI=1S/C44H63N5O12/c1-26-12-9-10-14-40-46-33(23-58-40)43-48-34(24-60-43)44-47-32(22-59-44)42(57-8)29(4)36(53)19-30(45)18-31(51)20-41(54)61-39(26)21-38(56-7)27(2)15-16-35(52)28(3)37(55-6)13-11-17-49(5)25-50/h10-11,14,17,22-31,37-39,42,51H,9,12-13,15-16,18-21,45H2,1-8H3/b14-10+,17-11+ |
| InChIKey | AQYANMZYGIFVDZ-JMRZXEDWSA-N |
| Mol Weight | 854.0 g/mol |
| Molecular Formula | C44H63N5O12 |
| Exact Mass | 853.447322 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AtuCNpHuXRf |
|---|---|
| Name | HALISHIGAMIDE-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H63N5O12 |
| InChI | InChI=1S/C44H63N5O12/c1-26-12-9-10-14-40-46-33(23-58-40)43-48-34(24-60-43)44-47-32(22-59-44)42(57-8)29(4)36(53)19-30(45)18-31(51)20-41(54)61-39(26)21-38(56-7)27(2)15-16-35(52)28(3)37(55-6)13-11-17-49(5)25-50/h10-11,14,17,22-31,37-39,42,51H,9,12-13,15-16,18-21,45H2,1-8H3/b14-10+,17-11+ |
| InChIKey | AQYANMZYGIFVDZ-JMRZXEDWSA-N |
| Literature Reference Author | J.KOBAYASHI,M.TSUDA,H.FUSE,T.SASAKI,Y.MIKAMI |
| Literature Reference Citation | J.NAT.PROD.,60,150(1997) |
| Literature Reference DOI | 10.1021/np960558d |
| Molecular Weight | 854.011 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWGS101 |