Chem
J-GLOBAL ID：200907096182720965   Nikkaji number：J1.496.522J

Sanggenon D

サンゲノンD
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： C40H36O12
Molecular formula furigana： C40-H36-O12
Molecular weight： 708.716
InChI： InChI=1S/C40H36O12/c1-18(2)10-11-39-27-9-6-22(43)16-31(27)52-40(39,50)38(49)35-32(51-39)17-30(46)34(37(35)48)26-13-19(3)12-25(23-7-4-20(41)14-28(23)44)33(26)36(47)24-8-5-21(42)15-29(24)45/h4-10,13-17,25-26,33,41-46,48,50H,11-12H2,1-3H3/t25-,26-,33-,39-,40-/m1/s1
InChI key： XETHJOZXBVWLLM-JPNCQBQXSA-N
SMILES： CC(=CC[C@]12Oc3cc(O)c([C@@H]4C=C(C)C[C@@H]([C@H]4C(=O)c4ccc(O)cc4O)c4ccc(O)cc4O)c(O)c3C(=O)[C@@]1(O)Oc1cc(O)ccc21)C
Systematic name  (3)：
  • 2-[(1R)-6β-(2,4-ジヒドロキシベンゾイル)-5α-(2,4-ジヒドロキシフェニル)-3-メチル-2-シクロヘキセン-1α-イル]-5a,10a-ジヒドロ-1,3,8,10aβ-テトラヒドロキシ-5aβ-(3-メチル-2-ブテニル)-11H-ベンゾフロ[3,2-b][1]ベンゾピラン-11-オン
  • (1S,10R)-5-[(1R,5S,6R)-6-(2,4-ジヒドロキシベンゾイル)-5-(2,4-ジヒドロキシフェニル)-3-メチルシクロヘキサ-2-エン-1-イル]-1,4,6,14-テトラヒドロキシ-10-(3-メチルブタ-2-エン-1-イル)-9,17-ジオキサテトラシクロ[8.7.0.03,8.011,16]ヘプタデカ-3,5,7,11,13,15-ヘキサエン-2-オン
  • (1S,10R)-5-[(1R,5S,6R)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-1,4,6,14-tetrahydroxy-10-(3-methylbut-2-en-1-yl)-9,17-dioxatetracyclo[8.7.0.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaen-2-one
Other name (4)：
  • 2-[(1R)-6β-(2,4-Dihydroxybenzoyl)-5α-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexene-1α-yl]-5a,10a-dihydro-1,3,8,10aβ-tetrahydroxy-5aβ-(3-methyl-2-butenyl)-11H-benzofuro[3,2-b][1]benzopyran-11-one
  • サンゲノンD
  • Sanggenone D
  • Sanggenon D
CAS registry number： 81422-93-7
KEGG COMPOUND： C09835
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