Chem
J-GLOBAL ID：200907036873395693   Nikkaji number：J2.366.968D

2,4-Dihydroxy-3-[3-[(1S,8aβ)-3,8-dimethyl-7-oxo-1α,3α,4aα-[1,2,3]propanetriyloctahydro-1H-2-benzopyran-8β-yl]propionylamino]benzoic acid

2,4-ジヒドロキシ-3-[3-[(1S,8aβ)-3,8-ジメチル-7-オキソ-1α,3α,4aα-[1,2,3]プロパントリイルオクタヒドロ-1H-2-ベンゾピラン-8β-イル]プロピオニルアミノ]安息香酸
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： C24H29NO7
Molecular formula furigana： C24-H29-N-O7
Molecular weight： 443.496
InChI： InChI=1S/C24H29NO7/c1-22(7-6-17(28)25-18-14(26)4-3-13(19(18)29)21(30)31)16(27)5-8-24-10-12-9-15(20(22)24)32-23(12,2)11-24/h3-4,12,15,20,26,29H,5-11H2,1-2H3,(H,25,28)(H,30,31)/t12-,15+,20+,22-,23+,24+/m1/s1
InChI key： XADCWKSMHQPTGH-OFBLZTNGSA-N
SMILES： C[C@]12C[C@]34C[C@H]1C[C@H](O2)[C@H]3[C@](C)(CCC(=O)Nc1c(O)ccc(C(=O)O)c1O)C(=O)CC4
Systematic name  (4)：
  • 2,4-ジヒドロキシ-3-[3-(1,3,4,5,6,7,8,8aβ-オクタヒドロ-3,8-ジメチル-7-オキソ-1α,3α,4aα-[1,2,3]プロパントリイル-4aH-2-ベンゾピラン-8β-イル)プロピオニルアミノ]安息香酸
  • 2,4-ジヒドロキシ-3-[3-[(1S,8aβ)-3,8-ジメチル-7-オキソ-1α,3α,4aα-[1,2,3]プロパントリイルオクタヒドロ-1H-2-ベンゾピラン-8β-イル]プロピオニルアミノ]安息香酸
  • 3-{3-[(1S,5S,6R,7S,9S,10S)-5,9-ジメチル-4-オキソ-8-オキサテトラシクロ[7.2.1.17,10.01,6]トリデカン-5-イル]プロパンアミド}-2,4-ジヒドロキシ安息香酸
  • 3-{3-[(1S,5S,6R,7S,9S,10S)-5,9-dimethyl-4-oxo-8-oxatetracyclo[7.2.1.17,10.01,6]tridecan-5-yl]propanamido}-2,4-dihydroxybenzoic acid
Other name (2)：
  • 2,4-Dihydroxy-3-[3-(1,3,4,5,6,7,8,8aβ-octahydro-3,8-dimethyl-7-oxo-1α,3α,4aα-[1,2,3]propanetriyl-4aH-2-benzopyran-8β-yl)propionylamino]benzoic acid
  • 2,4-Dihydroxy-3-[3-[(1S,8aβ)-3,8-dimethyl-7-oxo-1α,3α,4aα-[1,2,3]propanetriyloctahydro-1H-2-benzopyran-8β-yl]propionylamino]benzoic acid
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