Chem
J-GLOBAL ID:200907051312352714   Nikkaji number:J450.761D

Pyrophaeophorbide b methyl ester

ピロフェオホルビドbメチルエステル
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: C34H34N4O4
Molecular formula furigana: C34-H34-N4-O4
Molecular weight: 562.670
InChI: InChI=1S/C34H34N4O4/c1-7-19-16(3)24-12-25-17(4)21(9-10-31(41)42-6)33(37-25)22-11-30(40)32-18(5)26(38-34(22)32)13-28-20(8-2)23(15-39)29(36-28)14-27(19)35-24/h7,12-15,17,21,35,38H,1,8-11H2,2-6H3/b24-12+,25-12-,26-13-,27-14+,28-13-,29-14-,33-22-/t17-,21-/m0/s1
InChI key: IFAZVDAMURHUTR-FHNXKNFLSA-N
SMILES: CCC1=C(C=O)C2=N/C/1=C\c1c(c3C(=O)C/C(=C\4/N=C(/C=c\5/[nH]/c(=C/2)/c(c5C)C=C)[C@H]([C@@H]4CCC(=O)OC)C)/c3[nH]1)C
Systematic name  (6):
  • 31,32-ジデヒドロ-71-オキソフィトクロリンメチルエステル
  • (3S,4S)-9-ビニル-14-エチル-13-ホルミル-4,8,18-トリメチル-20-オキソ-3-ホルビンプロパン酸メチル
  • (3S)-4α,8,18-トリメチル-13-ホルミル-14-エチル-9-ビニル-20-オキソ-23,24,25,26-テトラアザヘキサシクロ[15.4.2.12,5.17,10.112,15.019,22]ヘキサコサン-1(22),2(26),5,7,9,11,13,15(24),16,18-デカエン-3β-プロパン酸メチル
  • 8-エチル-3-ビニル-7-ホルミル-17,18-ジヒドロ-2,12,18α-トリメチル-13,15-(カルボニルメチレン)-21H,23H-ポルフィリン-17β-プロパン酸メチル
  • メチル 3-[(21S,22S)-16-エテニル-11-エチル-12-ホルミル-17,21,26-トリメチル-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]プロパノアート
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Other name (6):
  • ピロフェオホルビドbメチルエステル
  • Pyrophaeophorbide b methyl ester
  • 31,32-Didehydro-71-oxophytochlorin methyl ester
  • (3S,4S)-9-Vinyl-14-ethyl-13-formyl-4,8,18-trimethyl-20-oxo-3-phorbinepropanoic acid methyl ester
  • (3S)-4α,8,18-Trimethyl-13-formyl-14-ethyl-9-vinyl-20-oxo-23,24,25,26-tetraazahexacyclo[15.4.2.12,5.17,10.112,15.019,22]hexacosane-1(22),2(26),5,7,9,11,13,15(24),16,18-decaene-3β-propanoic acid methyl ester
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