Chem
J-GLOBAL ID:200907017330289538   Nikkaji number:J734.736G

2,8α,12,17-Tetramethyl-7β-(3-oxo-3-methoxypropyl)-13-formyl-18-ethyl-7,8-dihydro-21H,23H-porphyrin-3,5-dicarboxylic anhydride

2,8α,12,17-テトラメチル-7β-(3-オキソ-3-メトキシプロピル)-13-ホルミル-18-エチル-7,8-ジヒドロ-21H,23H-ポルフィリン-3,5-ジカルボン酸無水物
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: C33H32N4O6
Molecular formula furigana: C33-H32-N4-O6
Molecular weight: 580.641
InChI: InChI=1S/C33H32N4O6/c1-7-18-14(2)22-11-26-20(13-38)16(4)21(35-26)10-23-15(3)19(8-9-27(39)42-6)30(36-23)29-31-28(32(40)43-33(29)41)17(5)24(37-31)12-25(18)34-22/h10-13,15,19,35,37H,7-9H2,1-6H3/b21-10+,22-11-,23-10-,24-12-,25-12-,26-11+,30-29+/t15-,19-/m0/s1
InChI key: DLXHAHNEGMVHEG-XQGXBPMXSA-N
SMILES: CCC1=C(C)C2=N/C/1=C\c1[nH]c3/C(=C/4\N=C(/C=c\5/[nH]/c(=C/2)/c(c5C)C=O)[C@H]([C@@H]4CCC(=O)OC)C)/C(=O)OC(=O)c3c1C
Systematic name  (3):
  • 2,8α,12,17-テトラメチル-7β-(3-オキソ-3-メトキシプロピル)-13-ホルミル-18-エチル-7,8-ジヒドロ-21H,23H-ポルフィリン-3,5-ジカルボン酸無水物
  • メチル 3-[(22S,23S)-12-エチル-17-ホルミル-13,18,22,27-テトラメチル-3,5-ジオキソ-4-オキサ-8,24,25,26-テトラアザヘキサシクロ[19.2.1.16,9.111,14.116,19.02,7]ヘプタコサ-1,6,9(27),10,12,14(26),15,17,19,21(24)-デカエン-23-イル]プロパノアート
  • methyl 3-[(22S,23S)-12-ethyl-17-formyl-13,18,22,27-tetramethyl-3,5-dioxo-4-oxa-8,24,25,26-tetraazahexacyclo[19.2.1.16,9.111,14.116,19.02,7]heptacosa-1,6,9(27),10,12,14(26),15,17,19,21(24)-decaen-23-yl]propanoate
Other name (1):
  • 2,8α,12,17-Tetramethyl-7β-(3-oxo-3-methoxypropyl)-13-formyl-18-ethyl-7,8-dihydro-21H,23H-porphyrin-3,5-dicarboxylic anhydride
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