Chem
J-GLOBAL ID:200907050791311125   Nikkaji number:J1.920.562B

Bis[4-(10,15,20-triphenyl 21H,23H-porphyrin-5-yl)cyclohexanecarboxylic acid]5α-androstane-3β,17α-diyl ester

ビス[4-(10,15,20-トリフェニル21H,23H-ポルフィリン-5-イル)シクロヘキサンカルボン酸]5α-アンドロスタン-3β,17α-ジイル
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: C109H100N8O4
Molecular formula furigana: C109-H100-N8-O4
Molecular weight: 1586.051
InChI: InChI=1S/C109H100N8O4/c1-108-63-61-77(120-106(118)74-37-33-72(34-38-74)104-93-56-52-89(114-93)100(68-25-13-5-14-26-68)85-48-44-81(110-85)98(66-21-9-3-10-22-66)82-45-49-86(111-82)101(69-27-15-6-16-28-69)90-53-57-94(104)115-90)65-76(108)41-42-78-79-43-60-97(109(79,2)64-62-80(78)108)121-107(119)75-39-35-73(36-40-75)105-95-58-54-91(116-95)102(70-29-17-7-18-30-70)87-50-46-83(112-87)99(67-23-11-4-12-24-67)84-47-51-88(113-84)103(71-31-19-8-20-32-71)92-55-59-96(105)117-92/h3-32,44-59,72-80,97,110,112,115,117H,33-43,60-65H2,1-2H3/b98-81-,98-82-,99-83-,99-84-,100-85-,100-89-,101-86-,101-90-,102-87-,102-91-,103-88-,103-92-,104-93-,104-94-,105-95-,105-96-/t72?,73?,74?,75?,76-,77-,78-,79-,80-,97+,108-,109-/m0/s1
InChI key: QTEGNBGRJFQVMF-YIFRDMFXSA-N
SMILES: C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](CC[C@]34C)OC(=O)C3CCC(CC3)/C/3=c/4\cc/c(=C(/C5=N/C(=C(\c6ccc(/C(=C\7/C=CC3=N7)/c3ccccc3)[nH]6)/c3ccccc3)/C=C5)\c3ccccc3)/[nH]4)[C@@H]1CC[C@H]2OC(=O)C1CCC(CC1)/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/c1ccccc1)[nH]4)/c1ccccc1)/C=C3)\c1ccccc1)/[nH]2
Systematic name  (3):
  • ビス[4-(10,15,20-トリフェニル21H,23H-ポルフィリン-5-イル)シクロヘキサンカルボン酸]5α-アンドロスタン-3β,17α-ジイル
  • (1R,3aS,3bR,5aS,7S,9aS,9bS,11aS)-9a,11a-ジメチル-1-(4-{7,12,17-トリフェニル-21,22,23,24-テトラアザペンタシクロ[16.2.1.13,6.18,11.113,16]テトラコサ-1,3(24),4,6,8,10,12,14,16(22),17,19-ウンデカエン-2-イル}シクロヘキサンカルボニルオキシ)-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-7-イル 4-{7,12,17-トリフェニル-21,22,23,24-テトラアザペンタシクロ[16.2.1.13,6.18,11.113,16]テトラコサ-1,3(24),4,6,8,10,12,14,16(22),17,19-ウンデカエン-2-イル}シクロヘキサン-1-カルボキシラート
  • (1R,3aS,3bR,5aS,7S,9aS,9bS,11aS)-9a,11a-dimethyl-1-(4-{7,12,17-triphenyl-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-2-yl}cyclohexanecarbonyloxy)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl 4-{7,12,17-triphenyl-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-2-yl}cyclohexane-1-carboxylate
Other name (1):
  • Bis[4-(10,15,20-triphenyl 21H,23H-porphyrin-5-yl)cyclohexanecarboxylic acid]5α-androstane-3β,17α-diyl ester
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