Chem
J-GLOBAL ID:200907001306885525   Nikkaji number:J2.478.939J

11,23-Bis[[[(R)-1-cyclohexylethyl]imino]methyl]-26,28-[(1R,2R)-1,2-bis(isopropoxycarbonyl)ethylene]bis(oxy)bis(2-oxo-2,1-ethanediyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-25,27-diol

11,23-ビス[[[(R)-1-シクロヘキシルエチル]イミノ]メチル]-26,28-[(1R,2R)-1,2-ビス(イソプロポキシカルボニル)エチレン]ビス(オキシ)ビス(2-オキソ-2,1-エタンジイル)ペンタシクロ[19.3.1.13,7.19,13.115,19]オクタコサ-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-ドデカエン-25,27-ジオール
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: C60H72N2O10
Molecular formula furigana: C60-H72-N2-O10
Molecular weight: 981.240
InChI: InChI=1S/C60H72N2O10/c1-35(2)69-59(67)57-58(60(68)70-36(3)4)72-54(64)32-52-45-21-14-22-46(52)30-50-26-40(34-62-38(6)42-17-11-8-12-18-42)24-48(56(50)66)28-44-20-13-19-43(51(44)31-53(63)71-57)27-47-23-39(25-49(29-45)55(47)65)33-61-37(5)41-15-9-7-10-16-41/h13-14,19-26,33-38,41-42,57-58,65-66H,7-12,15-18,27-32H2,1-6H3/t37-,38-,57-,58-/m1/s1
InChI key: WDFRFNWDMLGITE-KNNLKGMYSA-N
SMILES: CC(C)OC(=O)[C@@H]1OC(=O)Cc2c3Cc4cc(C=N[C@H](C)C5CCCCC5)cc(Cc5cccc(Cc6cc(C=N[C@H](C)C7CCCCC7)cc(Cc2ccc3)c6O)c5CC(=O)O[C@H]1C(=O)OC(C)C)c4O
Systematic name  (3):
  • 11,23-ビス[[[(R)-1-シクロヘキシルエチル]イミノ]メチル]-26,28-[(1R,2R)-1,2-ビス(イソプロポキシカルボニル)エチレン]ビス(オキシ)ビス(2-オキソ-2,1-エタンジイル)ペンタシクロ[19.3.1.13,7.19,13.115,19]オクタコサ-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-ドデカエン-25,27-ジオール
  • 22,23-ビス(プロパン-2-イル) (22R,23R)-9,31-ビス({[(1R)-1-シクロヘキシルエチル]イミノ}メチル)-35,36-ジヒドロキシ-20,25-ジオキソ-21,24-ジオキサヘキサシクロ[15.10.7.17,11.129,33.05,27.013,18]ヘキサトリアコンタ-1,3,5(27),7,9,11(36),13,15,17,29(35),30,32-ドデカエン-22,23-ジカルボキシラート
  • 22,23-bis(propan-2-yl) (22R,23R)-9,31-bis({[(1R)-1-cyclohexylethyl]imino}methyl)-35,36-dihydroxy-20,25-dioxo-21,24-dioxahexacyclo[15.10.7.17,11.129,33.05,27.013,18]hexatriaconta-1,3,5(27),7,9,11(36),13,15,17,29(35),30,32-dodecaene-22,23-dicarboxylate
Other name (1):
  • 11,23-Bis[[[(R)-1-cyclohexylethyl]imino]methyl]-26,28-[(1R,2R)-1,2-bis(isopropoxycarbonyl)ethylene]bis(oxy)bis(2-oxo-2,1-ethanediyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-25,27-diol
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