| SpectraBase Compound ID | 2081F6rX5wV |
|---|---|
| InChI | InChI=1S/C41H58O15/c1-22(42)50-21-40(11,55-27(6)47)36(53-25(4)45)14-16-39(10,54-26(5)46)35-13-17-41(56-28(7)48)30-18-32(49)31-19-33(51-23(2)43)34(52-24(3)44)20-37(31,8)29(30)12-15-38(35,41)9/h18,29,31,33-36H,12-17,19-21H2,1-11H3/t29?,31?,33-,34+,35+,36?,37-,38-,39?,40?,41-/m1/s1 |
| InChIKey | NNJFALDUJTWALU-NLKJPJLESA-N |
| Mol Weight | 790.9 g/mol |
| Molecular Formula | C41H58O15 |
| Exact Mass | 790.377571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KAXmGkxHwg5 |
|---|---|
| Name | 26-HYDROXY-PINNATASTERONE-PERACETYLATED |
| Compound Number | 1AC |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H58O15 |
| InChI | InChI=1S/C41H58O15/c1-22(42)50-21-40(11,55-27(6)47)36(53-25(4)45)14-16-39(10,54-26(5)46)35-13-17-41(56-28(7)48)30-18-32(49)31-19-33(51-23(2)43)34(52-24(3)44)20-37(31,8)29(30)12-15-38(35,41)9/h18,29,31,33-36H,12-17,19-21H2,1-11H3/t29?,31?,33-,34+,35+,36?,37-,38-,39?,40?,41-/m1/s1 |
| InChIKey | NNJFALDUJTWALU-NLKJPJLESA-N |
| Literature Reference Author | T.C.D.SANTOS,F.D.MONACHE,S.G.LEITAO |
| Literature Reference Citation | FITOTERAPIA,72,215(2001) |
| Literature Reference DOI | 10.1016/S0367-326X(00)00304-X |
| Molecular Weight | 790.903 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN4017 |