99865-71-1 Purity
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PubChem CID 90477975.
The molecular formula of Pre-zoapatanol is C20H34O4.
The molecular weight of Pre-zoapatanol is 338.5 g/mol.
Pre-zoapatanol was created on February 16, 2015.
Pre-zoapatanol was last modified on December 30, 2023.
The IUPAC name of Pre-zoapatanol is 9-[3-[(Z)-5-hydroxy-3-(hydroxymethyl)pent-3-enyl]-2-methyloxiran-2-yl]-2,6-dimethylnon-2-en-5-one.
The InChI of Pre-zoapatanol is InChI=1S/C20H34O4/c1-15(2)7-9-18(23)16(3)6-5-12-20(4)19(24-20)10-8-17(14-22)11-13-21/h7,11,16,19,21-22H,5-6,8-10,12-14H2,1-4H3/b17-11-.
The InChIKey of Pre-zoapatanol is HAEAVKBVZVAUFR-BOPFTXTBSA-N.
The Canonical SMILES of Pre-zoapatanol is CC(CCCC1(C(O1)CCC(=CCO)CO)C)C(=O)CC=C(C)C.
Pre-zoapatanol has 2 hydrogen bond donor counts.