Chem
J-GLOBAL ID:200907008492871835   Nikkaji number:J2.058.454H

3′,6′-Bis(phosphonooxy)-6-[4β-(2-oxo-7-hydroxy-2H-1-benzopyran-3-ylcarbonylamino)cyclohexane-1β-ylcarbamoyl]spiro[benzo[c]furan-1(3H),9′-[9H]xanthene]-3-one

[3-オキソ-6'-(ホスホノオキシ)-6-{[(1s,4s)-4-(7-ヒドロキシ-2-オキソ-2H-クロメン-3-アミド)シクロヘキシル]カルバモイル}-3H-スピロ[2-ベンゾフラン-1,9'-キサンテン]-3'-イルオキシ]ホスホン酸
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: C37H30N2O16P2
Molecular formula furigana: C37-H30-N2-O16-P2
Molecular weight: 820.593
InChI: InChI=1S/C37H30N2O16P2/c40-22-7-1-18-13-26(35(43)52-30(18)15-22)34(42)39-21-5-3-20(4-6-21)38-33(41)19-2-10-25-29(14-19)37(53-36(25)44)27-11-8-23(54-56(45,46)47)16-31(27)51-32-17-24(9-12-28(32)37)55-57(48,49)50/h1-2,7-17,20-21,40H,3-6H2,(H,38,41)(H,39,42)(H2,45,46,47)(H2,48,49,50)/t20-,21+
InChI key: JEDUJHXBOGJRAQ-OYRHEFFESA-N
SMILES: Oc1ccc2cc(C(=O)N[C@@H]3CC[C@@H](CC3)NC(=O)c3ccc4C(=O)OC5(c4c3)c3ccc(OP(=O)(O)O)cc3Oc3cc(OP(=O)(O)O)ccc53)c(=O)oc2c1
Systematic name  (3):
  • 3′,6′-ビス(ホスホノオキシ)-6-[4β-(2-オキソ-7-ヒドロキシ-2H-1-ベンゾピラン-3-イルカルボニルアミノ)シクロヘキサン-1β-イルカルバモイル]スピロ[ベンゾ[c]フラン-1(3H),9′-[9H]キサンテン]-3-オン
  • [3-オキソ-6'-(ホスホノオキシ)-6-{[(1s,4s)-4-(7-ヒドロキシ-2-オキソ-2H-クロメン-3-アミド)シクロヘキシル]カルバモイル}-3H-スピロ[2-ベンゾフラン-1,9'-キサンテン]-3'-イルオキシ]ホスホン酸
  • [3-oxo-6'-(phosphonooxy)-6-{[(1s,4s)-4-(7-hydroxy-2-oxo-2H-chromene-3-amido)cyclohexyl]carbamoyl}-3H-spiro[2-benzofuran-1,9'-xanthen]-3'-yloxy]phosphonic acid
Other name (1):
  • 3′,6′-Bis(phosphonooxy)-6-[4β-(2-oxo-7-hydroxy-2H-1-benzopyran-3-ylcarbonylamino)cyclohexane-1β-ylcarbamoyl]spiro[benzo[c]furan-1(3H),9′-[9H]xanthene]-3-one
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