| SpectraBase Compound ID | 9mWaZMXXO2I |
|---|---|
| InChI | InChI=1S/C44H64N4O14/c1-27(14-10-11-18-39-46-33(25-60-39)44(55)59-9)38(23-37(57-7)28(2)19-20-35(52)29(3)36(56-6)17-13-21-48(5)26-49)62-40(53)22-31(50)15-12-16-34(51)30(4)41(58-8)32-24-61-43(47-32)42(45)54/h11-13,16,18,21,24-31,36-38,41,50H,10,14-15,17,19-20,22-23H2,1-9H3,(H2,45,54)/b16-12+,18-11+,21-13+ |
| InChIKey | ZXRAPGWKFNGPQU-JKQLDQSBSA-N |
| Mol Weight | 873.0 g/mol |
| Molecular Formula | C44H64N4O14 |
| Exact Mass | 872.441903 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DQV7xopkqQy |
|---|---|
| Name | HALISHIGAMIDE-D |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H64N4O14 |
| InChI | InChI=1S/C44H64N4O14/c1-27(14-10-11-18-39-46-33(25-60-39)44(55)59-9)38(23-37(57-7)28(2)19-20-35(52)29(3)36(56-6)17-13-21-48(5)26-49)62-40(53)22-31(50)15-12-16-34(51)30(4)41(58-8)32-24-61-43(47-32)42(45)54/h11-13,16,18,21,24-31,36-38,41,50H,10,14-15,17,19-20,22-23H2,1-9H3,(H2,45,54)/b16-12+,18-11+,21-13+ |
| InChIKey | ZXRAPGWKFNGPQU-JKQLDQSBSA-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 | 873.011 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWGS104 |