Chem
J-GLOBAL ID:201207021176373027   Nikkaji number:J3.093.903D

3′,3′-Bis[(3-phenylpropoxy)methyl]-3-methoxyspiro[5H-benzocycloheptene-5,1′-cyclobutane]-7(6H)-one

3′,3′-ビス[(3-フェニルプロポキシ)メチル]-3-メトキシスピロ[5H-ベンゾシクロヘプテン-5,1′-シクロブタン]-7(6H)-オン
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: C35H40O4
Molecular formula furigana: C35-H40-O4
Molecular weight: 524.701
InChI: InChI=1S/C35H40O4/c1-37-32-19-17-30-16-18-31(36)23-35(33(30)22-32)24-34(25-35,26-38-20-8-14-28-10-4-2-5-11-28)27-39-21-9-15-29-12-6-3-7-13-29/h2-7,10-13,16-19,22H,8-9,14-15,20-21,23-27H2,1H3
InChI key: GXUJHFWSRQZVNY-UHFFFAOYSA-N
SMILES: COc1ccc2C=CC(=O)CC3(CC(COCCCc4ccccc4)(COCCCc4ccccc4)C3)c2c1
Systematic name  (3):
  • 3′,3′-ビス[(3-フェニルプロポキシ)メチル]-3-メトキシスピロ[5H-ベンゾシクロヘプテン-5,1′-シクロブタン]-7(6H)-オン
  • 3-メトキシ-3',3'-ビス[(3-フェニルプロポキシ)メチル]-6,7-ジヒドロスピロ[ベンゾ[7]アンヌレン-5,1'-シクロブタン]-7-オン
  • 3-methoxy-3',3'-bis[(3-phenylpropoxy)methyl]-6,7-dihydrospiro[benzo[7]annulene-5,1'-cyclobutan]-7-one
Other name (1):
  • 3′,3′-Bis[(3-phenylpropoxy)methyl]-3-methoxyspiro[5H-benzocycloheptene-5,1′-cyclobutane]-7(6H)-one
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