| SpectraBase Compound ID | 9yFrPXq1Z2e |
|---|---|
| InChI | InChI=1S/C45H78O7/c1-8-10-11-12-13-14-15-16-39(46)50-28-38-40(47)41(48)42(49)43(52-38)51-33-23-25-44(6)32(27-33)19-20-34-36-22-21-35(45(36,7)26-24-37(34)44)30(5)17-18-31(9-2)29(3)4/h19,29-31,33-38,40-43,47-49H,8-18,20-28H2,1-7H3/t30?,31?,33?,34?,35?,36?,37?,38-,40+,41-,42+,43-,44?,45?/m1/s1 |
| InChIKey | DHKUBNCDNTWBAV-RWXLEJKKSA-N |
| Mol Weight | 731.1 g/mol |
| Molecular Formula | C45H78O7 |
| Exact Mass | 730.574755 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4Nk8X13GjPW |
|---|---|
| Name | ATROSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H78O7 |
| InChI | InChI=1S/C45H78O7/c1-8-10-11-12-13-14-15-16-39(46)50-28-38-40(47)41(48)42(49)43(52-38)51-33-23-25-44(6)32(27-33)19-20-34-36-22-21-35(45(36,7)26-24-37(34)44)30(5)17-18-31(9-2)29(3)4/h19,29-31,33-38,40-43,47-49H,8-18,20-28H2,1-7H3/t30?,31?,33?,34?,35?,36?,37?,38-,40+,41-,42+,43-,44?,45?/m1/s1 |
| InChIKey | DHKUBNCDNTWBAV-RWXLEJKKSA-N |
| Literature Reference Author | M.S.ALI,M.SALEEM,A.W.ERIAN |
| Literature Reference Citation | FITOTERAPIA,72,712(2001) |
| Literature Reference DOI | 10.1016/S0367-326X(01)00290-8 |
| Molecular Weight | 731.110 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN4071 |