Chem
J-GLOBAL ID:200907092585351174
Nikkaji number:J1.777.068C
(7R,8R)-31 -Oxo-7β,8α-dihydro-132 α-(methoxycarbonyl)phytochlorin (7R,11R)-3,7,11,15-tetramethyl-2-hexadecenyl ester
(7R,8R)-31 -オキソ-7β,8α-ジヒドロ-132 α-(メトキシカルボニル)フィトクロリン(7R,11R)-3,7,11,15-テトラメチル-2-ヘキサデセニル
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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:
C55 H76 N4 O6
Molecular formula furigana:
C55-H76-N4-O6
Molecular weight:
889.235
InChI:
InChI=1S/C55H76N4O6/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3/h25,27-32,34-35,39-40,51,57,59H,13-24,26H2,1-12H3/b33-25?,41-29-,42-27-,43-27+,44-28-,45-28-,46-29+,52-50-/t31-,32-,34-,35+,39-,40+,51-/m1/s1
InChI key:
KWOZSBGNAHVCKG-AIZLBJEDSA-N
SMILES:
CC[C@@H]1[C@@H](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(=O)C)[C@H]([C@@H]4CCC(=O)OCC=C(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)/c3[nH]1)C(=O)OC)C
Systematic name (3):
(7R,8R)-31 -オキソ-7β,8α-ジヒドロ-132 α-(メトキシカルボニル)フィトクロリン(7R,11R)-3,7,11,15-テトラメチル-2-ヘキサデセニル
メチル (3R,11R,12R,21S,22S)-16-アセチル-11-エチル-12,17,21,26-テトラメチル-4-オキソ-22-(3-オキソ-3-{[(7R,11R)-3,7,11,15-テトラメチルヘキサデカ-2-エン-1-イル]オキシ}プロピル)-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),9,13(25),14,16,18,20(23)-ノナエン-3-カルボキシラート
methyl (3R,11R,12R,21S,22S)-16-acetyl-11-ethyl-12,17,21,26-tetramethyl-4-oxo-22-(3-oxo-3-{[(7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]oxy}propyl)-7,23,24,25-tetraazahexacyclo[18.2.1.15,8 .110,13 .115,18 .02,6 ]hexacosa-1,5,8(26),9,13(25),14,16,18,20(23)-nonaene-3-carboxylate
Other name (1):
(7R,8R)-31 -Oxo-7β,8α-dihydro-132 α-(methoxycarbonyl)phytochlorin (7R,11R)-3,7,11,15-tetramethyl-2-hexadecenyl ester
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