Chem
J-GLOBAL ID：200907033729764952
Nikkaji number：J2.535.222J
1,1′-(2,2-Dimethyl-1,3-dioxolane-4α,5β-diyl)bis[(Z)-2-iodo-5-phenyl-1-pentene-4-yne-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[(Z)-2-ヨード-5-フェニル-1-ペンテン-4-イン-3-オール]
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
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
Molecular formula： C27H24I2O4
Molecular formula furigana： C27-H24-I2-O4
Molecular weight： 666.294
InChI：
InChI=1S/C27H24I2O4/c1-27(2)32-25(17-21(28)23(30)15-13-19-9-5-3-6-10-19)26(33-27)18-22(29)24(31)16-14-20-11-7-4-8-12-20/h3-12,17-18,23-26,30-31H,1-2H3/b21-17-,22-18-/t23?,24?,25-,26-/m1/s1
InChI key：
JVMDAWQVMVHDAI-MKHHAZTISA-N
SMILES：
CC1(C)O[C@H](/C=C(\I)/C(O)C#Cc2ccccc2)[C@H](O1)/C=C(\I)/C(O)C#Cc1ccccc1
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[(Z)-2-ヨード-5-フェニル-1-ペンテン-4-イン-3-オール]
- (1Z)-1-[(4R,5R)-5-[(1Z)-3-ヒドロキシ-2-ヨード-5-フェニルペンタ-1-エン-4-イン-1-イル]-2,2-ジメチル-1,3-ジオキソラン-4-イル]-2-ヨード-5-フェニルペンタ-1-エン-4-イン-3-オール
- (1Z)-1-[(4R,5R)-5-[(1Z)-3-hydroxy-2-iodo-5-phenylpent-1-en-4-yn-1-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-iodo-5-phenylpent-1-en-4-yn-3-ol
- 1,1′-(2,2-Dimethyl-1,3-dioxolane-4α,5β-diyl)bis[(Z)-2-iodo-5-phenyl-1-pentene-4-yne-3-ol]
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