Chem
J-GLOBAL ID:200907046100056631   Nikkaji number:J1.462.529A

4′-[[11-(Acryloyloxy)undecyl]oxy]-1,1′-biphenyl-4-carboxylic acid [(3S)-1′,3′,3′-trimethyl-5′-[[2-[[(1R)-2α-isopropyl-5β-methylcyclohexane]-1β-yloxy]acetyl]oxy]spiro[3H-naphtho[2,1-b][1,4]oxazine-3,2′(3′H)-[1H]indole]]-9-yl ester

4′-[[11-(アクリロイルオキシ)ウンデシル]オキシ]-1,1′-ビフェニル-4-カルボン酸[(3S)-1′,3′,3′-トリメチル-5′-[[2-[[(1R)-2α-イソプロピル-5β-メチルシクロヘキサン]-1β-イルオキシ]アセチル]オキシ]スピロ[3H-ナフト[2,1-b][1,4]オキサジン-3,2′(3′H)-[1H]インドール]]-9-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: C61H72N2O9
Molecular formula furigana: C61-H72-N2-O9
Molecular weight: 977.252
InChI: InChI=1S/C61H72N2O9/c1-8-56(64)68-35-17-15-13-11-9-10-12-14-16-34-67-47-27-23-44(24-28-47)43-19-21-46(22-20-43)59(66)71-48-29-25-45-26-33-54-58(51(45)37-48)62-40-61(72-54)60(5,6)52-38-49(30-32-53(52)63(61)7)70-57(65)39-69-55-36-42(4)18-31-50(55)41(2)3/h8,19-30,32-33,37-38,40-42,50,55H,1,9-18,31,34-36,39H2,2-7H3/t42-,50+,55-,61-/m1/s1
InChI key: YWLMZDSVDAPGIO-XSRVATOXSA-N
SMILES: CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Oc1ccc2N(C)[C@]3(Oc4ccc5ccc(OC(=O)c6ccc(cc6)c6ccc(OCCCCCCCCCCCOC(=O)C=C)cc6)cc5c4N=C3)C(C)(C)c2c1
Systematic name  (3):
  • 4′-[[11-(アクリロイルオキシ)ウンデシル]オキシ]-1,1′-ビフェニル-4-カルボン酸[(3S)-1′,3′,3′-トリメチル-5′-[[2-[[(1R)-2α-イソプロピル-5β-メチルシクロヘキサン]-1β-イルオキシ]アセチル]オキシ]スピロ[3H-ナフト[2,1-b][1,4]オキサジン-3,2′(3′H)-[1H]インドール]]-9-イル
  • (2S)-1,3,3-トリメチル-5-[(2-{[(1R,2S,5R)-5-メチル-2-(プロパン-2-イル)シクロヘキシル]オキシ}アセチル)オキシ]-1,3-ジヒドロスピロ[インドール-2,3'-ナフト[2,1-b][1,4]オキサジン]-9'-イル 4'-{[11-(プロパ-2-エノイルオキシ)ウンデシル]オキシ}-[1,1'-ビフェニル]-4-カルボキシラート
  • (2S)-1,3,3-trimethyl-5-[(2-{[(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl]oxy}acetyl)oxy]-1,3-dihydrospiro[indole-2,3'-naphtho[2,1-b][1,4]oxazin]-9'-yl 4'-{[11-(prop-2-enoyloxy)undecyl]oxy}-[1,1'-biphenyl]-4-carboxylate
Other name (1):
  • 4′-[[11-(Acryloyloxy)undecyl]oxy]-1,1′-biphenyl-4-carboxylic acid [(3S)-1′,3′,3′-trimethyl-5′-[[2-[[(1R)-2α-isopropyl-5β-methylcyclohexane]-1β-yloxy]acetyl]oxy]spiro[3H-naphtho[2,1-b][1,4]oxazine-3,2′(3′H)-[1H]indole]]-9-yl ester
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