| SpectraBase Compound ID | GJFKw4JAg8B |
|---|---|
| InChI | InChI=1S/C45H66N4O12/c1-27-13-10-11-16-40-46-34(24-58-40)44-48-35(25-60-44)45-47-33(23-59-45)43(57-9)31(5)36(52)15-12-14-32(51)21-41(54)61-39(27)22-38(55-7)28(2)17-18-37(53)30(4)42(56-8)29(3)19-20-49(6)26-50/h11,16,19-20,23-32,36,38-39,42-43,51-52H,10,12-15,17-18,21-22H2,1-9H3/b16-11+,20-19+/t27-,28+,29-,30+,31+,32-,36+,38+,39+,42-,43+/m1/s1 |
| InChIKey | HSWMTNMCGWWOOK-UPNAAOBXSA-N |
| Mol Weight | 855.0 g/mol |
| Molecular Formula | C45H66N4O12 |
| Exact Mass | 854.467724 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FJKqdSr45I7 |
|---|---|
| Name | 33-METHYL_TETRAHYDROHALICHONDRAMIDE;MAJOR_ISOMER |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H66N4O12 |
| InChI | InChI=1S/C45H66N4O12/c1-27-13-10-11-16-40-46-34(24-58-40)44-48-35(25-60-44)45-47-33(23-59-45)43(57-9)31(5)36(52)15-12-14-32(51)21-41(54)61-39(27)22-38(55-7)28(2)17-18-37(53)30(4)42(56-8)29(3)19-20-49(6)26-50/h11,16,19-20,23-32,36,38-39,42-43,51-52H,10,12-15,17-18,21-22H2,1-9H3/b16-11+,20-19+/t27-,28+,29-,30+,31+,32-,36+,38+,39+,42-,43+/m1/s1 |
| InChIKey | HSWMTNMCGWWOOK-UPNAAOBXSA-N |
| Literature Reference Author | D.S.DALISAY,E.W.ROGERS,A.S.EDISON,T.F.MOLINSKI |
| Literature Reference Citation | J.NAT.PROD.,72,732(2009) |
| Literature Reference DOI | 10.1021/np8007649 |
| Molecular Weight | 855.039 g/mol |
| Sample ID | 32470 |
| Solvent | CDCl3 |