Chem
J-GLOBAL ID:201107061074805440
Nikkaji number:J2.965.084E
5β-(3-Chlorophenyl)-7β-(4-methylphenyl)-2,2-dimethyl-3aβ,3bα,6,7,7aα,8aβ-hexahydro-2H,5H-1,3,4,8-tetraoxacyclopenta[a]indene
(1S,2R,6R,8R,9S,11R)-11-(3-クロロフェニル)-4,4-ジメチル-9-(4-メチルフェニル)-3,5,7,12-テトラオキサトリシクロ[6.4.0.02,6 ]ドデカン
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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 H25 ClO4
Molecular formula furigana:
C23-H25-CL-O4
Molecular weight:
400.900
InChI:
InChI=1S/C23H25ClO4/c1-13-7-9-14(10-8-13)17-12-18(15-5-4-6-16(24)11-15)25-20-19(17)26-22-21(20)27-23(2,3)28-22/h4-11,17-22H,12H2,1-3H3/t17-,18+,19+,20-,21+,22+/m0/s1
InChI key:
UZVNXMHGSOYSQR-SPZHGEQOSA-N
SMILES:
Cc1ccc(cc1)[C@@H]1C[C@@H](O[C@@H]2[C@H]3OC(C)(C)O[C@H]3O[C@H]12)c1cccc(Cl)c1
Systematic name (3):
5β-(3-クロロフェニル)-7β-(4-メチルフェニル)-2,2-ジメチル-3aβ,3bα,6,7,7aα,8aβ-ヘキサヒドロ-2H,5H-1,3,4,8-テトラオキサシクロペンタ[a]インデン
(1S,2R,6R,8R,9S,11R)-11-(3-クロロフェニル)-4,4-ジメチル-9-(4-メチルフェニル)-3,5,7,12-テトラオキサトリシクロ[6.4.0.02,6 ]ドデカン
(1S,2R,6R,8R,9S,11R)-11-(3-chlorophenyl)-4,4-dimethyl-9-(4-methylphenyl)-3,5,7,12-tetraoxatricyclo[6.4.0.02,6 ]dodecane
Other name (1):
5β-(3-Chlorophenyl)-7β-(4-methylphenyl)-2,2-dimethyl-3aβ,3bα,6,7,7aα,8aβ-hexahydro-2H,5H-1,3,4,8-tetraoxacyclopenta[a]indene
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