Chem
J-GLOBAL ID:200907005132018121   Nikkaji number:J1.666.331J

3′,6′-Dihydroxy-5-(cholesta-5-ene-3β-ylaminoacetylamino)spiro[isobenzofuran-1(3H),9′-[9H]xanthene]-3-one

3′,6′-ジヒドロキシ-5-(コレスタ-5-エン-3β-イルアミノアセチルアミノ)スピロ[イソベンゾフラン-1(3H),9′-[9H]キサンテン]-3-オン
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: C49H60N2O6
Molecular formula furigana: C49-H60-N2-O6
Molecular weight: 773.027
InChI: InChI=1S/C49H60N2O6/c1-28(2)7-6-8-29(3)37-17-18-38-35-13-9-30-23-31(19-21-47(30,4)39(35)20-22-48(37,38)5)50-27-45(54)51-32-10-14-40-36(24-32)46(55)57-49(40)41-15-11-33(52)25-43(41)56-44-26-34(53)12-16-42(44)49/h9-12,14-16,24-26,28-29,31,35,37-39,50,52-53H,6-8,13,17-23,27H2,1-5H3,(H,51,54)/t29-,31+,35+,37-,38+,39+,47+,48-/m1/s1
InChI key: KBUOSWFOOFYQIR-INLPZAFLSA-N
SMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)NCC(=O)Nc1ccc2c(c1)C(=O)OC12c2ccc(O)cc2Oc2cc(O)ccc12
Systematic name  (4):
  • 3′,6′-ジヒドロキシ-5-(コレスタ-5-エン-3β-イルアミノアセチルアミノ)スピロ[イソベンゾフラン-1(3H),9′-[9H]キサンテン]-3-オン
  • N-[3′-オキソ-3,6-ジヒドロキシスピロ[9H-キサンテン-9,1′(3′H)-イソベンゾフラン]-5′-イル]-Nα-(3β-コレステリル)グリシンアミド
  • 2-{[(1R,3aS,3bS,7S,9aR,9bS,11aR)-9a,11a-ジメチル-1-[(2R)-6-メチルヘプタン-2-イル]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-7-イル]アミノ}-N-{3',6'-ジヒドロキシ-3-オキソ-3H-スピロ[2-ベンゾフラン-1,9'-キサンテン]-5-イル}アセトアミド
  • 2-{[(1R,3aS,3bS,7S,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]amino}-N-{3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-5-yl}acetamide
Other name (2):
  • 3′,6′-Dihydroxy-5-(cholesta-5-ene-3β-ylaminoacetylamino)spiro[isobenzofuran-1(3H),9′-[9H]xanthene]-3-one
  • N-[3′-Oxo-3,6-dihydroxyspiro[9H-xanthene-9,1′(3′H)-isobenzofuran]-5′-yl]-Nα-(3β-cholesteryl)glycinamide
Thsaurus map:

Return to Previous Page