Chem
J-GLOBAL ID:200907019210282575
Nikkaji number:J2.535.218A
1,1′-(2,2-Dimethyl-1,3-dioxolane-4α,5β-diyl)bis[(1Z,4Z)-2-iodo-5-chloro-6,6-dimethyl-1,4-heptadiene-3-ol]
1,1′-(2,2-ジメチル-1,3-ジオキソラン-4α,5β-ジイル)ビス[(1Z,4Z)-2-ヨード-5-クロロ-6,6-ジメチル-1,4-ヘプタジエン-3-オール]
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C23 H34 Cl2 I2 O4
Molecular formula furigana:
C23-H34-CL2-I2-O4
Molecular weight:
699.230
InChI:
InChI=1S/C23H34Cl2I2O4/c1-21(2,3)19(24)11-15(28)13(26)9-17-18(31-23(7,8)30-17)10-14(27)16(29)12-20(25)22(4,5)6/h9-12,15-18,28-29H,1-8H3/b13-9-,14-10-,19-11-,20-12-/t15?,16?,17-,18-/m1/s1
InChI key:
RMQCRSTZYXEOEC-HXSLHXNVSA-N
SMILES:
CC(C)(C)/C(=C/C(O)/C(=C/[C@H]1OC(C)(C)O[C@@H]1/C=C(\I)/C(O)/C=C(\Cl)/C(C)(C)C)/I)/Cl
Systematic name (3):
1,1′-(2,2-ジメチル-1,3-ジオキソラン-4α,5β-ジイル)ビス[(1Z,4Z)-2-ヨード-5-クロロ-6,6-ジメチル-1,4-ヘプタジエン-3-オール]
(1Z,4Z)-5-クロロ-1-[(4R,5R)-5-[(1Z,4Z)-5-クロロ-3-ヒドロキシ-2-ヨード-6,6-ジメチルヘプタ-1,4-ジエン-1-イル]-2,2-ジメチル-1,3-ジオキソラン-4-イル]-2-ヨード-6,6-ジメチルヘプタ-1,4-ジエン-3-オール
(1Z,4Z)-5-chloro-1-[(4R,5R)-5-[(1Z,4Z)-5-chloro-3-hydroxy-2-iodo-6,6-dimethylhepta-1,4-dien-1-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-iodo-6,6-dimethylhepta-1,4-dien-3-ol
Other name (1):
1,1′-(2,2-Dimethyl-1,3-dioxolane-4α,5β-diyl)bis[(1Z,4Z)-2-iodo-5-chloro-6,6-dimethyl-1,4-heptadiene-3-ol]
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