| SpectraBase Compound ID | BVvg0kkToRc |
|---|---|
| InChI | InChI=1S/C20H34O3/c1-17(2)14-5-9-19-8-4-13(20(23,11-19)12-21)10-15(19)18(14,3)7-6-16(17)22/h13-16,21-23H,4-12H2,1-3H3/t13-,14?,15?,16+,18+,19+,20+/m0/s1 |
| InChIKey | MGZCTUDLVVCKCA-AWWHMSGRSA-N |
| Mol Weight | 322.5 g/mol |
| Molecular Formula | C20H34O3 |
| Exact Mass | 322.250795 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7lXPMVa23Zy |
|---|---|
| Name | ENTATISANE-3-BETA-16-ALPHA-17-TRIOL |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H34O3 |
| InChI | InChI=1S/C20H34O3/c1-17(2)14-5-9-19-8-4-13(20(23,11-19)12-21)10-15(19)18(14,3)7-6-16(17)22/h13-16,21-23H,4-12H2,1-3H3/t13-,14?,15?,16+,18+,19+,20+/m0/s1 |
| InChIKey | MGZCTUDLVVCKCA-AWWHMSGRSA-N |
| Literature Reference Author | Z.JIA,Y.DING |
| Literature Reference Citation | PLANTA.MED.,57,569(1991) |
| Literature Reference DOI | 10.1055/s-2006-960208 |
| Molecular Weight | 322.488 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UIAP233 |