| SpectraBase Compound ID | Fy0fJG8zxum |
|---|---|
| InChI | InChI=1S/C40H57NO12/c1-8-12-33(45)41-18-11-9-10-13-30-29(44)19-23(2)28(43)22-27-20-25(4)40(51-27)17-16-38(6)32(53-40)15-14-31(52-38)35-36(50-35)37(48-26(5)42)39(7,47)24(3)21-34(46)49-30/h9-11,18,21,23,25,27,30-32,35-37,47H,8,12-17,19-20,22H2,1-7H3,(H,41,45)/b10-9+,18-11+,24-21+/t23-,25-,27+,30-,31-,32?,35-,36-,37+,38-,39+,40?/m0/s1 |
| InChIKey | BYYRHLWOSGJAHX-AYBFQRISSA-N |
| Mol Weight | 743.9 g/mol |
| Molecular Formula | C40H57NO12 |
| Exact Mass | 743.388076 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GRZwQg0hbVQ |
|---|---|
| Name | LITUARINE-B |
| CAS Registry Number | 143621-76-5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H57NO12 |
| InChI | InChI=1S/C40H57NO12/c1-8-12-33(45)41-18-11-9-10-13-30-29(44)19-23(2)28(43)22-27-20-25(4)40(51-27)17-16-38(6)32(53-40)15-14-31(52-38)35-36(50-35)37(48-26(5)42)39(7,47)24(3)21-34(46)49-30/h9-11,18,21,23,25,27,30-32,35-37,47H,8,12-17,19-20,22H2,1-7H3,(H,41,45)/b10-9+,18-11+,24-21+/t23-,25-,27+,30-,31-,32?,35-,36-,37+,38-,39+,40?/m0/s1 |
| InChIKey | BYYRHLWOSGJAHX-AYBFQRISSA-N |
| Literature Reference Author | J.P.VIDAL,R.ESCALE,J.P.GIRARD,J.C.ROSSI,J.M.CHANTRAINE,A.AUM ELAS |
| Literature Reference Citation | J.ORG.CHEM.,57,5857(1992) |
| Literature Reference DOI | 10.1021/jo00048a017 |
| Molecular Weight | 743.892 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWCS2040 |