| SpectraBase Compound ID | 9ABK1QSvqdJ |
|---|---|
| InChI | InChI=1S/C45H61N7O8/c1-5-27(3)37-42(57)49-38(28(4)6-2)45(60)52-24-12-16-35(52)40(55)47-33(26-30-18-20-31(53)21-19-30)44(59)50-22-10-15-34(50)39(54)46-32(25-29-13-8-7-9-14-29)43(58)51-23-11-17-36(51)41(56)48-37/h7-9,13-14,18-21,27-28,32-38,53H,5-6,10-12,15-17,22-26H2,1-4H3,(H,46,54)(H,47,55)(H,48,56)(H,49,57)/t27-,28-,32-,33-,34-,35-,36-,37-,38-/m0/s1 |
| InChIKey | LNXDZKNDLBCPBR-UZPVMMMDSA-N |
| Mol Weight | 828.0 g/mol |
| Molecular Formula | C45H61N7O8 |
| Exact Mass | 827.458162 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IQH1FA4hNsc |
|---|---|
| Name | PHAKELLISTATIN-2;MORE-POLAR-CONFORMER |
| Compound Number | 1A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H61N7O8 |
| InChI | InChI=1S/C45H61N7O8/c1-5-27(3)37-42(57)49-38(28(4)6-2)45(60)52-24-12-16-35(52)40(55)47-33(26-30-18-20-31(53)21-19-30)44(59)50-22-10-15-34(50)39(54)46-32(25-29-13-8-7-9-14-29)43(58)51-23-11-17-36(51)41(56)48-37/h7-9,13-14,18-21,27-28,32-38,53H,5-6,10-12,15-17,22-26H2,1-4H3,(H,46,54)(H,47,55)(H,48,56)(H,49,57)/t27-,28-,32-,33-,34-,35-,36-,37-,38-/m0/s1 |
| InChIKey | LNXDZKNDLBCPBR-UZPVMMMDSA-N |
| Literature Reference Author | J.N.TABUDRAVU,M.JASPARS,L.A.MORRIS,J.J.K.V.D.BOSCH,N.SMITH |
| Literature Reference Citation | J.ORG.CHEM.,67,8593(2002) |
| Literature Reference DOI | 10.1021/jo020482s |
| Molecular Weight | 828.021 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN23751 |