| SpectraBase Compound ID | HrETOmckthZ |
|---|---|
| InChI | InChI=1S/C31H54O7/c1-23(16-18-27(33)30(5,36)20-10-14-25(3)22-32)12-8-9-13-24(2)17-19-28(34)31(6,37)21-11-15-26(4)29(35)38-7/h12-15,27-28,32-34,36-37H,8-11,16-22H2,1-7H3/b23-12+,24-13+,25-14+,26-15+/t27-,28-,30?,31?/m1/s1 |
| InChIKey | ATHKEVKXPPWXTM-WHTZVTLCSA-N |
| Mol Weight | 538.8 g/mol |
| Molecular Formula | C31H54O7 |
| Exact Mass | 538.386954 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6WTLKxCB4yB |
|---|---|
| Name | CONCENTRICOL-B-METHYLESTER |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H54O7 |
| InChI | InChI=1S/C31H54O7/c1-23(16-18-27(33)30(5,36)20-10-14-25(3)22-32)12-8-9-13-24(2)17-19-28(34)31(6,37)21-11-15-26(4)29(35)38-7/h12-15,27-28,32-34,36-37H,8-11,16-22H2,1-7H3/b23-12+,24-13+,25-14+,26-15+/t27-,28-,30?,31?/m1/s1 |
| InChIKey | ATHKEVKXPPWXTM-WHTZVTLCSA-N |
| Literature Reference Author | D.N.QUANG,T.HASHIMOTO,M.TANAKA,M.BAUMGARTNER,M.STADLER,Y.ASA KAWA |
| Literature Reference Citation | PHYTOCHEM.,61,345(2002) |
| Literature Reference DOI | 10.1016/S0031-9422(02)00264-9 |
| Molecular Weight | 538.766 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU29346 |