Tutin
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Product Description
Product
Tutin
CAS
2571-22-4
Formula
C15H18O6
Synonym
Tutin; Tutine; Tutu; UNII-B69P754702; (1As-(1aalpha,1bbeta,2beta,5beta,6alpha,6abeta,7beta,7aalpha,8S*))-hexahydro-1B,6-dihydroxy-6A-methyl-8-(1-methylethenyl)spiro(2,5-methano-7H-oxireno(3,4)cyclopent(1,2-D)oxepin-7,2'-oxiran)-3(2alpha H)-one; (7R,8R)-1aß,1b,5,6,6a,7aß-Hexahydro-1ba,6ß-dihydroxy-6aa-methyl-8-(1-methylethenyl)spiro[2a,5a-methano-7H-oxireno[3,4]cyclopent[1,2-d]oxepine-7,2'-oxiran]-3(2H)-one; Spiro(2,5-methano-7H-oxireno(3,4)cyclopent(1,2-D)oxepin-7,2'-oxiran)-3(2ah)-one, 1A-beta,1B,5A,6,6A,7A-beta-hexahydro-1B-alpha,6-beta-dihydroxy-8A-isopropenyl-6A-alpha-methyl-; Toot poison
Typical Product Specifications
Molecular weight
294.30
SMILES
[C@@]12([C@@]([C@@H]3[C@H]([C@]42OC4)O3)([C@@H]2[C@@H]([C@H]([C@H]1O)OC2=O)C(=C)C)O)C
InChI
CCAZWUJBLXKBAY-ULZPOIKGSA-N
InChIKey
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
Atmospheric OH Rate Constant
6.67E-11 cm3/molecule-sec
log P (octanol-water)
0.260
Water solubility
1.90E+04 mg/L
Class
Tutin
Product Description
Product
Tutin
CAS
2571-22-4
Formula
C15H18O6
Synonym
Tutin; Tutine; Tutu; UNII-B69P754702; (1As-(1aalpha,1bbeta,2beta,5beta,6alpha,6abeta,7beta,7aalpha,8S*))-hexahydro-1B,6-dihydroxy-6A-methyl-8-(1-methylethenyl)spiro(2,5-methano-7H-oxireno(3,4)cyclopent(1,2-D)oxepin-7,2'-oxiran)-3(2alpha H)-one; (7R,8R)-1aß,1b,5,6,6a,7aß-Hexahydro-1ba,6ß-dihydroxy-6aa-methyl-8-(1-methylethenyl)spiro[2a,5a-methano-7H-oxireno[3,4]cyclopent[1,2-d]oxepine-7,2'-oxiran]-3(2H)-one; Spiro(2,5-methano-7H-oxireno(3,4)cyclopent(1,2-D)oxepin-7,2'-oxiran)-3(2ah)-one, 1A-beta,1B,5A,6,6A,7A-beta-hexahydro-1B-alpha,6-beta-dihydroxy-8A-isopropenyl-6A-alpha-methyl-; Toot poison
Typical Product Specifications
Molecular weight
294.30
SMILES
[C@@]12([C@@]([C@@H]3[C@H]([C@]42OC4)O3)([C@@H]2[C@@H]([C@H]([C@H]1O)OC2=O)C(=C)C)O)C
InChI
CCAZWUJBLXKBAY-ULZPOIKGSA-N
InChIKey
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
Atmospheric OH Rate Constant
6.67E-11 cm3/molecule-sec
log P (octanol-water)
0.260
Water solubility
1.90E+04 mg/L
Class
