Chem
J-GLOBAL ID：200907055868471360   Nikkaji number：J1.184.517G

(-)-Incarvillateine

(-)-インカルビラテイン
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： C42H58N2O8
Molecular formula furigana： C42-H58-N2-O8
Molecular weight： 718.932
InChI： InChI=1S/C42H58N2O8/c1-21-17-43(5)19-29-23(3)33(15-27(21)29)51-41(47)39-37(25-9-11-31(45)35(13-25)49-7)40(38(39)26-10-12-32(46)36(14-26)50-8)42(48)52-34-16-28-22(2)18-44(6)20-30(28)24(34)4/h9-14,21-24,27-30,33-34,37-40,45-46H,15-20H2,1-8H3/t21-,22-,23-,24-,27-,28-,29-,30-,33+,34+,37?,38?,39-,40?/m0/s1
InChI key： VQKTZIKAARDZIA-ZLRAPAGJSA-N
SMILES： COc1cc(ccc1O)C1C(C([C@H]1C(=O)O[C@@H]1C[C@@H]2[C@@H](CN(C)C[C@@H]2C)[C@@H]1C)c1ccc(O)c(OC)c1)C(=O)O[C@@H]1C[C@@H]2[C@@H](CN(C)C[C@@H]2C)[C@@H]1C
Systematic name  (4)：
  • 2β,4α-ビス(4-ヒドロキシ-3-メトキシフェニル)-1α,3β-シクロブタンジカルボン酸ビス[(4R,4aS,7aR)-オクタヒドロ-2,4α,7β-トリメチル-1H-シクロペンタ[c]ピリジン-6β-イル]
  • 2α,4β-ビス(4-ヒドロキシ-3-メトキシフェニル)シクロブタン-1β,3α-ジカルボン酸ビス[(4R,4aβ,7aβ)-オクタヒドロ-2,4α,7β-トリメチル-1H-シクロペンタ[c]ピリジン-6β-イル]
  • 1,3-ビス[(4R,4aS,6R,7S,7aR)-2,4,7-トリメチル-オクタヒドロ-1H-シクロペンタ[c]ピリジン-6-イル] 2,4-ビス(4-ヒドロキシ-3-メトキシフェニル)シクロブタン-1,3-ジカルボキシラート
  • 1,3-bis[(4R,4aS,6R,7S,7aR)-2,4,7-trimethyl-octahydro-1H-cyclopenta[c]pyridin-6-yl] 2,4-bis(4-hydroxy-3-methoxyphenyl)cyclobutane-1,3-dicarboxylate
Other name (6)：
  • 2β,4α-Bis(4-hydroxy-3-methoxyphenyl)-1α,3β-cyclobutanedicarboxylic acid bis[(4R,4aS,7aR)-octahydro-2,4α,7β-trimethyl-1H-cyclopenta[c]pyridine-6β-yl] ester
  • インカルビラテイン
  • Incarvillateine
  • 2α,4β-Bis(4-hydroxy-3-methoxyphenyl)cyclobutane-1β,3α-dicarboxylic acid bis[(4R,4aβ,7aβ)-octahydro-2,4α,7β-trimethyl-1H-cyclopenta[c]pyridine-6β-yl] ester
  • (-)-インカルビラテイン
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