Chem
J-GLOBAL ID：201107085197513644   Nikkaji number：J2.921.101I

5,9,11,12-Tetrahydro-3,5-dimethyl-6,12,13-triphenyl-10,11-(epoxymetheno)benzo[5,6]cyclohepta[1,2-b]indole-8,8(7H)-dicarboxylic acid dimethyl ester

5,9,11,12-テトラヒドロ-3,5-ジメチル-6,12,13-トリフェニル-10,11-(エポキシメテノ)ベンゾ[5,6]シクロヘプタ[1,2-b]インドール-8,8(7H)-ジカルボン酸ジメチル
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： C42H35NO5
Molecular formula furigana： C42-H35-N-O5
Molecular weight： 633.744
InChI： InChI=1S/C42H35NO5/c1-25-20-21-29-31(22-25)43(2)38-33(26-14-8-5-9-15-26)30-23-42(40(44)46-3,41(45)47-4)24-32-35(30)37(39(48-32)28-18-12-7-13-19-28)34(36(29)38)27-16-10-6-11-17-27/h5-22,34H,23-24H2,1-4H3
InChI key： LOIQWGGPXZWRFG-UHFFFAOYSA-N
SMILES： COC(=O)C1(Cc2oc(c3C(c4c(C(=C(C1)c23)c1ccccc1)n(C)c1cc(C)ccc41)c1ccccc1)c1ccccc1)C(=O)OC
Systematic name  (3)：
  • 5,9,11,12-テトラヒドロ-3,5-ジメチル-6,12,13-トリフェニル-10,11-(エポキシメテノ)ベンゾ[5,6]シクロヘプタ[1,2-b]インドール-8,8(7H)-ジカルボン酸ジメチル
  • 15,15-ジメチル 7,10-ジメチル-2,12,19-トリフェニル-18-オキサ-10-アザペンタシクロ[11.6.1.03,11.04,9.017,20]イコサ-1(19),3(11),4,6,8,12,17(20)-ヘプタエン-15,15-ジカルボキシラート
  • 15,15-dimethyl 7,10-dimethyl-2,12,19-triphenyl-18-oxa-10-azapentacyclo[11.6.1.03,11.04,9.017,20]icosa-1(19),3(11),4,6,8,12,17(20)-heptaene-15,15-dicarboxylate
Other name (1)：
  • 5,9,11,12-Tetrahydro-3,5-dimethyl-6,12,13-triphenyl-10,11-(epoxymetheno)benzo[5,6]cyclohepta[1,2-b]indole-8,8(7H)-dicarboxylic acid dimethyl ester
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