Chem
J-GLOBAL ID：200907004148173937
Nikkaji number：J1.897.225E
31,32,171,172-Tetradehydro-132β-(methoxycarbonyl)phytochlorin
31,32,171,172-テトラデヒドロ-132β-(メトキシカルボニル)フィトクロリン
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： C35H34N4O5
Molecular formula furigana： C35-H34-N4-O5
Molecular weight： 590.680
InChI：
InChI=1S/C35H34N4O5/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22/h8,10-14,17,21,31,36,39H,1,9H2,2-7H3,(H,40,41)/b11-10?,22-12+,23-13-,24-12-,25-14-,26-13+,27-14-,32-30-/t17-,21-,31-/m0/s1
InChI key：
PRWLQALVKWRABN-JCJFJHLSSA-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]4C=CC(=O)O)C)/c3[nH]1)C(=O)OC)C
Systematic name (3)：
- 31,32,171,172-テトラデヒドロ-132β-(メトキシカルボニル)フィトクロリン
- 3-[(3S,21S,22S)-16-エテニル-11-エチル-3-(メトキシカルボニル)-12,17,21,26-テトラメチル-4-オキソ-7,23,24,25-テトラアザヘキサシクロ[18.2.1.15,8.110,13.115,18.02,6]ヘキサコサ-1,5,8(26),9,11,13(25),14,16,18,20(23)-デカエン-22-イル]プロパ-2-エン酸
- 3-[(3S,21S,22S)-16-ethenyl-11-ethyl-3-(methoxycarbonyl)-12,17,21,26-tetramethyl-4-oxo-7,23,24,25-tetraazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaen-22-yl]prop-2-enoic acid
- 31,32,171,172-Tetradehydro-132β-(methoxycarbonyl)phytochlorin
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