| SpectraBase Compound ID | 3nVIhhxy2S5 |
|---|---|
| InChI | InChI=1S/C45H61NO12/c1-8-9-13-24-37-44(4,5)41(51)42(57-39(50)27-32-21-14-12-15-22-32)45(53,58-37)33(29-47)43(52)46-26-19-18-20-30(2)40(55-7)31(3)36-28-34(48)35(56-36)23-16-10-11-17-25-38(49)54-6/h8-25,31,33-37,40-42,47-48,51,53H,26-29H2,1-7H3,(H,46,52)/b9-8-,11-10+,19-18+,23-16+,24-13+,25-17+,30-20+/t31?,33?,34?,35?,36?,37-,40?,41-,42+,45+/m0/s1 |
| InChIKey | YXAWBSPBVCPUMK-LUXYXRRVSA-N |
| Mol Weight | 808.0 g/mol |
| Molecular Formula | C45H61NO12 |
| Exact Mass | 807.419376 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IfkP6O52zts |
|---|---|
| Name | YXAWBSPBVCPUMK-LUXYXRRVSA-N |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H61NO12 |
| InChI | InChI=1S/C45H61NO12/c1-8-9-13-24-37-44(4,5)41(51)42(57-39(50)27-32-21-14-12-15-22-32)45(53,58-37)33(29-47)43(52)46-26-19-18-20-30(2)40(55-7)31(3)36-28-34(48)35(56-36)23-16-10-11-17-25-38(49)54-6/h8-25,31,33-37,40-42,47-48,51,53H,26-29H2,1-7H3,(H,46,52)/b9-8-,11-10+,19-18+,23-16+,24-13+,25-17+,30-20+/t31?,33?,34?,35?,36?,37-,40?,41-,42+,45+/m0/s1 |
| InChIKey | YXAWBSPBVCPUMK-LUXYXRRVSA-N |
| Literature Reference Author | G.T.CARTER,D.W.PHILLIPSON,R.R.WEST,D.B.BORDERS |
| Literature Reference Citation | J.ORG.CHEM.,58,6588(1993) |
| Literature Reference DOI | 10.1021/jo00076a016 |
| Molecular Weight | 807.979 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ3949 |