Chem
J-GLOBAL ID:200907048453633023   Nikkaji number:J2.718.096E

2-[(2E,4E,6E,8E,10E)-1-Oxo-5,9-dimethyl-11-(2,6,6-trimethyl-1-cyclohexenyl)2,4,6,8,10-undecapentaenyl]-5-mesityl-17,17-dimethyl-2,3-didehydro-17,18-dihydrochlorin

2-[(2E,4E,6E,8E,10E)-1-オキソ-5,9-ジメチル-11-(2,6,6-トリメチル-1-シクロヘキセニル)2,4,6,8,10-ウンデカペンタエニル]-5-メシチル-17,17-ジメチル-2,3-ジデヒドロ-17,18-ジヒドロクロリン
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: C53H58N4O
Molecular formula furigana: C53-H58-N4-O
Molecular weight: 767.074
InChI: InChI=1S/C53H58N4O/c1-33(14-11-15-34(2)19-23-44-36(4)17-13-25-52(44,7)8)16-12-18-48(58)43-31-47-51(50-37(5)26-35(3)27-38(50)6)45-24-22-40(55-45)28-39-20-21-41(54-39)30-49-53(9,10)32-42(56-49)29-46(43)57-47/h11-12,14-16,18-24,26-31,54,57H,13,17,25,32H2,1-10H3/b14-11+,18-12+,23-19+,33-16+,34-15+,39-28-,40-28-,41-30-,42-29-,46-29-,49-30-,51-45+,51-47+
InChI key: AVWJUUQGJWFNQS-ZVMWIJLTSA-N
SMILES: C/C(=C\C=C\C(=O)c1cc2[nH]c1/C=C\1/CC(C)(C)C(=N1)/C=c\1/cc/c(=C/C3=N/C(=C\2/c2c(C)cc(C)cc2C)/C=C3)/[nH]1)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C
Systematic name  (3):
  • 2-[(2E,4E,6E,8E,10E)-1-オキソ-5,9-ジメチル-11-(2,6,6-トリメチル-1-シクロヘキセニル)2,4,6,8,10-ウンデカペンタエニル]-5-メシチル-17,17-ジメチル-2,3-ジデヒドロ-17,18-ジヒドロクロリン
  • (2E,4E,6E,8E,10E)-1-[19,19-ジメチル-7-(2,4,6-トリメチルフェニル)-21,22,23,24-テトラアザペンタシクロ[16.2.1.13,6.18,11.113,16]テトラコサ-1,3,5,7,9,11(23),12,14,16,18(21)-デカエン-4-イル]-5,9-ジメチル-11-(2,6,6-トリメチルシクロヘキサ-1-エン-1-イル)ウンデカ-2,4,6,8,10-ペンタエン-1-オン
  • (2E,4E,6E,8E,10E)-1-[19,19-dimethyl-7-(2,4,6-trimethylphenyl)-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21)-decaen-4-yl]-5,9-dimethyl-11-(2,6,6-trimethylcyclohex-1-en-1-yl)undeca-2,4,6,8,10-pentaen-1-one
Other name (1):
  • 2-[(2E,4E,6E,8E,10E)-1-Oxo-5,9-dimethyl-11-(2,6,6-trimethyl-1-cyclohexenyl)2,4,6,8,10-undecapentaenyl]-5-mesityl-17,17-dimethyl-2,3-didehydro-17,18-dihydrochlorin
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