| SpectraBase Compound ID | 78Y5xG6UeBb |
|---|---|
| InChI | InChI=1S/C42H68O12/c1-21(2)13-15-30(43)24(6)20-29-38(49)41(10)18-11-12-28(41)25(7)42(29,50)19-17-23(5)31(16-14-22(3)4)53-39-36(48)34(46)37(27(9)52-39)54-40-35(47)33(45)32(44)26(8)51-40/h13-14,17,20,25-37,39-40,43-48,50H,11-12,15-16,18-19H2,1-10H3/b23-17+,24-20+/t25-,26+,27-,28?,29+,30?,31?,32+,33-,34-,35-,36-,37+,39+,40?,41+,42-/m0/s1 |
| InChIKey | IPNCRIZBOSAWLA-GNLATYOUSA-N |
| Mol Weight | 765.0 g/mol |
| Molecular Formula | C42H68O12 |
| Exact Mass | 764.471078 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EnQhPAizNUp |
|---|---|
| Name | XESTOVANIN-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H68O12 |
| InChI | InChI=1S/C42H68O12/c1-21(2)13-15-30(43)24(6)20-29-38(49)41(10)18-11-12-28(41)25(7)42(29,50)19-17-23(5)31(16-14-22(3)4)53-39-36(48)34(46)37(27(9)52-39)54-40-35(47)33(45)32(44)26(8)51-40/h13-14,17,20,25-37,39-40,43-48,50H,11-12,15-16,18-19H2,1-10H3/b23-17+,24-20+/t25-,26+,27-,28?,29+,30?,31?,32+,33-,34-,35-,36-,37+,39+,40?,41+,42-/m0/s1 |
| InChIKey | IPNCRIZBOSAWLA-GNLATYOUSA-N |
| Literature Reference Author | P.T.NORTHCOTE,R.J.ANDERSEN |
| Literature Reference Citation | J.AM.CHEM.SOC.,111,6276(1989) |
| Literature Reference DOI | 10.1021/ja00198a044 |
| Molecular Weight | 764.995 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWED10689 |