Chem
J-GLOBAL ID:200907024100524607
Nikkaji number:J1.082.863E
9,10-Diphenyl-11-oxotricyclo[6.2.1.12,7 ]dodecane-3,5,9-triene-1β,8β-dicarboxylic acid dimethyl ester
9,10-ジフェニル-11-オキソトリシクロ[6.2.1.12,7 ]ドデカン-3,5,9-トリエン-1β,8β-ジカルボン酸ジメチル
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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:
C28 H24 O5
Molecular formula furigana:
C28-H24-O5
Molecular weight:
440.495
InChI:
InChI=1S/C28H24O5/c1-32-25(30)27-20-15-9-10-16-21(17-20)28(24(27)29,26(31)33-2)23(19-13-7-4-8-14-19)22(27)18-11-5-3-6-12-18/h3-16,20-21H,17H2,1-2H3/t20?,21?,27-,28+
InChI key:
JIOFQHKMEKOFQA-AYSKEBQYSA-N
SMILES:
COC(=O)[C@]12C3CC(C=CC=C3)[C@](C(=O)OC)(C1=O)C(=C2c1ccccc1)c1ccccc1
Systematic name (3):
9,10-ジフェニル-11-オキソトリシクロ[6.2.1.12,7 ]ドデカン-3,5,9-トリエン-1β,8β-ジカルボン酸ジメチル
2,5-ジメチル (2R,5S)-12-オキソ-3,4-ジフェニルトリシクロ[4.4.1.12,5 ]ドデカ-3,7,9-トリエン-2,5-ジカルボキシラート
2,5-dimethyl (2R,5S)-12-oxo-3,4-diphenyltricyclo[4.4.1.12,5 ]dodeca-3,7,9-triene-2,5-dicarboxylate
Other name (1):
9,10-Diphenyl-11-oxotricyclo[6.2.1.12,7 ]dodecane-3,5,9-triene-1β,8β-dicarboxylic acid dimethyl ester
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