| SpectraBase Compound ID | 7X9dHJR9def |
|---|---|
| InChI | InChI=1S/C44H64N4O14/c1-27(14-10-11-18-39(45)53)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(54)22-31(50)15-12-16-34(51)30(4)41(58-8)32-24-60-42(46-32)33-25-61-43(47-33)44(55)59-9/h11-13,16,18,21,24-31,36-38,41,50H,10,14-15,17,19-20,22-23H2,1-9H3,(H2,45,53)/b16-12+,18-11+,21-13+ |
| InChIKey | NWHQAZYYZFUYMW-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 | 7BnkzZg6or4 |
|---|---|
| Name | SECOHALICHONDRAMIDE;MAJOR-ISOMER |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 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(45)53)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(54)22-31(50)15-12-16-34(51)30(4)41(58-8)32-24-60-42(46-32)33-25-61-43(47-33)44(55)59-9/h11-13,16,18,21,24-31,36-38,41,50H,10,14-15,17,19-20,22-23H2,1-9H3,(H2,45,53)/b16-12+,18-11+,21-13+ |
| InChIKey | NWHQAZYYZFUYMW-JKQLDQSBSA-N |
| Literature Reference Author | J.SHIN,H.S.LEE,J.Y.KIM,H.J.SHIN,J.W.AHN,V.J.PAUL |
| Literature Reference Citation | J.NAT.PROD.,67,1889(2004) |
| Literature Reference DOI | 10.1021/np040124f |
| Molecular Weight | 873.011 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWMZ6745 |