| SpectraBase Compound ID | 88Ps7C7xIx3 |
|---|---|
| InChI | InChI=1S/C30H48O2/c1-19(2)20(3)8-9-21(4)26-12-13-27-25-11-10-23-18-24(32-22(5)31)14-16-29(23,6)28(25)15-17-30(26,27)7/h8-10,19-21,24-28H,11-18H2,1-7H3/b9-8+/t20?,21?,24-,25?,26?,27?,28?,29?,30?/m0/s1 |
| InChIKey | YAXRKAKOIWXVHL-OMQCNGEYSA-N |
| Mol Weight | 440.7 g/mol |
| Molecular Formula | C30H48O2 |
| Exact Mass | 440.365431 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HpQ6JYl5IS1 |
|---|---|
| Name | EPIBRASSICASTEROL-3-O-MONOACETATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H48O2 |
| InChI | InChI=1S/C30H48O2/c1-19(2)20(3)8-9-21(4)26-12-13-27-25-11-10-23-18-24(32-22(5)31)14-16-29(23,6)28(25)15-17-30(26,27)7/h8-10,19-21,24-28H,11-18H2,1-7H3/b9-8+/t20?,21?,24-,25?,26?,27?,28?,29?,30?/m0/s1 |
| InChIKey | YAXRKAKOIWXVHL-OMQCNGEYSA-N |
| Literature Reference Author | J.H.CVEJIC,M.ROHMER |
| Literature Reference Citation | PHYTOCHEM.,53,21(2000) |
| Literature Reference DOI | 10.1016/S0031-9422(99)00465-3 |
| Molecular Weight | 440.710 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU1569 |