| SpectraBase Compound ID | xz1rSY8nLq |
|---|---|
| InChI | InChI=1S/C42H66O12/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/h13-14,17,20,26-37,39-40,43-48,50H,7,11-12,15-16,18-19H2,1-6,8-10H3/b23-17+,24-20+/t26-,27+,28-,29+,30?,31?,32-,33+,34+,35+,36+,37-,39-,40-,41-,42+/m1/s1 |
| InChIKey | VUBUYKZBDJDUGV-OGZWPKSJSA-N |
| Mol Weight | 763.0 g/mol |
| Molecular Formula | C42H66O12 |
| Exact Mass | 762.455428 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H27OaPwO9Ba |
|---|---|
| Name | EPIHYDRO-XESTOVANIN-A |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H66O12 |
| InChI | InChI=1S/C42H66O12/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/h13-14,17,20,26-37,39-40,43-48,50H,7,11-12,15-16,18-19H2,1-6,8-10H3/b23-17+,24-20+/t26-,27+,28-,29+,30?,31?,32-,33+,34+,35+,36+,37-,39-,40-,41-,42+/m1/s1 |
| InChIKey | VUBUYKZBDJDUGV-OGZWPKSJSA-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 | 762.979 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWVP5526 |