Chem
J-GLOBAL ID：200907081279368371
Nikkaji number：J1.867.850K
(7S,25R)-2,8α,12,17-Tetramethyl-13-vinyl-18-ethyl-25-(methoxycarbonyl)-26-oxo-3,5-ethano-7,8-dihydro-21H,23H-porphyrin-7β-propionic acid (2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecenyl ester
(7S,25R)-2,8α,12,17-テトラメチル-13-ビニル-18-エチル-25-(メトキシカルボニル)-26-オキソ-3,5-エタノ-7,8-ジヒドロ-21H,23H-ポルフィリン-7β-プロピオン酸(2E,7R,11R)-3,7,11,15-テトラメチル-2-ヘキサデセニル
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
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
Molecular formula： C55H74N4O5
Molecular formula furigana： C55-H74-N4-O5
Molecular weight： 871.220
InChI：
InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,56,59H,1,14-25,27H2,2-12H3/b34-26+,42-28+,43-29-,44-28-,45-30-,46-29+,47-30-,52-50-/t32-,33-,37+,41+,51-/m1/s1
InChI key：
CQIKWXUXPNUNDV-PJGQHWQASA-N
SMILES：
CCC1=C(C)C2=N/C/1=C\c1c(c3C(=O)[C@@H](/C(=C\4/N=C(/C=c\5/[nH]/c(=C/2)/c(c5C)C=C)[C@H]([C@@H]4CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)/c3[nH]1)C(=O)OC)C
Systematic name (1)：
- (7S,25R)-2,8α,12,17-テトラメチル-13-ビニル-18-エチル-25-(メトキシカルボニル)-26-オキソ-3,5-エタノ-7,8-ジヒドロ-21H,23H-ポルフィリン-7β-プロピオン酸(2E,7R,11R)-3,7,11,15-テトラメチル-2-ヘキサデセニル
- (7S,25R)-2,8α,12,17-Tetramethyl-13-vinyl-18-ethyl-25-(methoxycarbonyl)-26-oxo-3,5-ethano-7,8-dihydro-21H,23H-porphyrin-7β-propionic acid (2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecenyl ester
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