| SpectraBase Compound ID | A0uZ8uwblsH |
|---|---|
| InChI | InChI=1S/C42H68O12/c1-21(2)13-15-30(43)23(5)17-19-42(50)29(32(44)25(7)28-12-11-18-41(28,42)10)20-24(6)31(16-14-22(3)4)53-39-37(49)35(47)38(27(9)52-39)54-40-36(48)34(46)33(45)26(8)51-40/h13-14,17,20,25-31,33-40,43,45-50H,11-12,15-16,18-19H2,1-10H3/b23-17+,24-20+/t25-,26-,27+,28-,29-,30?,31?,33-,34+,35+,36+,37+,38-,39-,40-,41-,42-/m1/s1 |
| InChIKey | FESYABODVVRUBU-VBULFMDISA-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 | 843oNGl6sBf |
|---|---|
| Name | ISIXESTOVANIN-A |
| Compound Number | 6 |
| 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)23(5)17-19-42(50)29(32(44)25(7)28-12-11-18-41(28,42)10)20-24(6)31(16-14-22(3)4)53-39-37(49)35(47)38(27(9)52-39)54-40-36(48)34(46)33(45)26(8)51-40/h13-14,17,20,25-31,33-40,43,45-50H,11-12,15-16,18-19H2,1-10H3/b23-17+,24-20+/t25-,26-,27+,28-,29-,30?,31?,33-,34+,35+,36+,37+,38-,39-,40-,41-,42-/m1/s1 |
| InChIKey | FESYABODVVRUBU-VBULFMDISA-N |
| Literature Reference Author | S.A.MORRIS,P.T.NORTHCOTE,R.J.ANDERSEN |
| Literature Reference Citation | CAN.J.CHEM.,69,1352(1991) |
| Literature Reference DOI | 10.1139/v91-201 |
| Molecular Weight | 764.995 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWVP5522 |