| SpectraBase Compound ID | Jm8uO5Qtfds |
|---|---|
| InChI | InChI=1S/C38H55NO9/c1-7-11-34(42)39-17-10-8-9-12-30-29(41)18-25(4)28(40)22-27-21-26(5)38(46-27)16-15-37(6)33(48-38)14-13-31(47-37)36-32(45-36)19-23(2)24(3)20-35(43)44-30/h8-10,17,20,23,25-27,30-33,36H,7,11-16,18-19,21-22H2,1-6H3,(H,39,42)/b9-8+,17-10+,24-20-/t23-,25+,26-,27?,30-,31-,32?,33?,36?,37-,38?/m0/s1 |
| InChIKey | IGZAIBFGKNESGV-YICZLBJDSA-N |
| Mol Weight | 669.9 g/mol |
| Molecular Formula | C38H55NO9 |
| Exact Mass | 669.387682 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9IZWevVUREF |
|---|---|
| Name | LITUARINE-A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H55NO9 |
| InChI | InChI=1S/C38H55NO9/c1-7-11-34(42)39-17-10-8-9-12-30-29(41)18-25(4)28(40)22-27-21-26(5)38(46-27)16-15-37(6)33(48-38)14-13-31(47-37)36-32(45-36)19-23(2)24(3)20-35(43)44-30/h8-10,17,20,23,25-27,30-33,36H,7,11-16,18-19,21-22H2,1-6H3,(H,39,42)/b9-8+,17-10+,24-20-/t23-,25+,26-,27?,30-,31-,32?,33?,36?,37-,38?/m0/s1 |
| InChIKey | IGZAIBFGKNESGV-YICZLBJDSA-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 | 669.856 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWCS2039 |