Chem
J-GLOBAL ID:200907049411439479   Nikkaji number:J2.721.034A

(17S,18S)-31-Hydroxy-17,18-dihydrophytoporphyrin 173-(5-hydroxy-3-oxapentane-1-yl) ester

(17S,18S)-31-ヒドロキシ-17,18-ジヒドロフィトポルフィリン173-(5-ヒドロキシ-3-オキサペンタン-1-イル)
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: C37H44N4O6
Molecular formula furigana: C37-H44-N4-O6
Molecular weight: 640.781
InChI: InChI=1S/C37H44N4O6/c1-7-23-18(2)26-17-31-34(22(6)43)20(4)28(39-31)15-27-19(3)24(8-9-33(45)47-13-12-46-11-10-42)36(40-27)25-14-32(44)35-21(5)29(41-37(25)35)16-30(23)38-26/h15-17,19,22,24,39,41-43H,7-14H2,1-6H3/b26-17-,27-15-,28-15+,29-16-,30-16-,31-17+,36-25-/t19-,22?,24-/m0/s1
InChI key: NHQWKSAEFBFWGA-LDLFVYRTSA-N
SMILES: CCC1=C(C)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)O)[C@H]([C@@H]4CCC(=O)OCCOCCO)C)/c3[nH]1)C
Systematic name  (3):
  • (17S,18S)-31-ヒドロキシ-17,18-ジヒドロフィトポルフィリン173-(5-ヒドロキシ-3-オキサペンタン-1-イル)
  • 2-(2-ヒドロキシエトキシ)エチル 3-[(21S,22S)-11-エチル-16-(1-ヒドロキシエチル)-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]プロパノアート
  • 2-(2-hydroxyethoxy)ethyl 3-[(21S,22S)-11-ethyl-16-(1-hydroxyethyl)-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]propanoate
Other name (1):
  • (17S,18S)-31-Hydroxy-17,18-dihydrophytoporphyrin 173-(5-hydroxy-3-oxapentane-1-yl) ester
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