25232-42-2 Purity
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Specification
The molecular formula of Tutin is C15H18O6.
The synonyms of Tutin include Tutine, Tutu, Toot poison, (+)-Tutin, and more.
The IUPAC name of Tutin is (1S,2R,3S,5R,6R,7R,8S,9R,12R)-2,8-dihydroxy-7-methyl-12-prop-1-en-2-ylspiro[4,10-dioxatetracyclo[7.2.1.02,7.03,5]dodecane-6,2'-oxirane]-11-one.
The InChI of Tutin is InChI=1S/C15H18O6/c1-5(2)6-7-12(17)20-8(6)9(16)13(3)14(4-19-14)10-11(21-10)15(7,13)18/h6-11,16,18H,1,4H2,2-3H3/t6-,7+,8+,9+,10+,11-,13-,14+,15-/m0/s1.
The InChIKey of Tutin is CCAZWUJBLXKBAY-ULZPOIKGSA-N.
The canonical SMILES of Tutin is CC(=C)C1C2C(C3(C4(CO4)C5C(C3(C1C(=O)O2)O)O5)C)O.
The CAS number of Tutin is 2571-22-4.
The molecular weight of Tutin is 294.30g/mol.
Tutin has 2 hydrogen bond donor counts.
Tutin has 6 hydrogen bond acceptor counts.