Chem
J-GLOBAL ID:200907000521034980   Nikkaji number:J2.648.270D

3-(Hydroxymethyl)-3-deethyl-17-[2-(methoxycarbonyl)ethyl]-17-de(2-carboxyethyl)-131-deoxophytoporphyrin

3-(ヒドロキシメチル)-3-デエチル-17-[2-(メトキシカルボニル)エチル]-17-デ(2-カルボキシエチル)-131-デオキソフィトポルフィリン
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: C33H36N4O3
Molecular formula furigana: C33-H36-N4-O3
Molecular weight: 536.676
InChI: InChI=1S/C33H36N4O3/c1-7-20-16(2)26-13-30-24(15-38)19(5)25(35-30)12-27-18(4)22(10-11-31(39)40-6)33(36-27)23-9-8-21-17(3)28(37-32(21)23)14-29(20)34-26/h12-14,35,37-38H,7-11,15H2,1-6H3/b25-12+,26-13-,27-12-,28-14-,29-14-,30-13+,33-23-
InChI key: CXQHQOIGFMCAHU-BSYJVICYSA-N
SMILES: CCC1=C(C)C2=N/C/1=C\c1c(c3CC/C(=C\4/N=C(/C=c\5/[nH]/c(=C/2)/c(c5C)CO)C(=C4CCC(=O)OC)C)/c3[nH]1)C
Systematic name  (3):
  • 3-(ヒドロキシメチル)-3-デエチル-17-[2-(メトキシカルボニル)エチル]-17-デ(2-カルボキシエチル)-131-デオキソフィトポルフィリン
  • メチル 3-[11-エチル-16-(ヒドロキシメチル)-12,17,21,26-テトラメチル-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),21-ウンデカエン-22-イル]プロパノアート
  • methyl 3-[11-ethyl-16-(hydroxymethyl)-12,17,21,26-tetramethyl-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),21-undecaen-22-yl]propanoate
Other name (1):
  • 3-(Hydroxymethyl)-3-deethyl-17-[2-(methoxycarbonyl)ethyl]-17-de(2-carboxyethyl)-131-deoxophytoporphyrin
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