Chem
J-GLOBAL ID：200907036450336640   Nikkaji number：J1.309.340G

Hemsleyanol A

ヘムスレヤノールA
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： C28H22O7
Molecular formula furigana： C28-H22-O7
Molecular weight： 470.477
InChI： InChI=1S/C28H22O7/c29-15-5-1-13(2-6-15)23-24-19(9-17(31)11-21(24)33)26-25-20(27(23)34)10-18(32)12-22(25)35-28(26)14-3-7-16(30)8-4-14/h1-12,23,26-34H/t23-,26+,27-,28-/m0/s1
InChI key： LHUHHURKGTUZHU-OSPRVTPDSA-N
SMILES： O[C@@H]1[C@@H](c2ccc(O)cc2)c2c(O)cc(O)cc2[C@H]2[C@@H](Oc3cc(O)cc1c23)c1ccc(O)cc1
Systematic name  (3)：
  • (1R)-1α,7β-ビス(4-ヒドロキシフェニル)-1,6,7,11bα-テトラヒドロベンゾ[6,7]シクロヘプタ[1,2,3-cd]ベンゾフラン-4,6α,8,10-テトラオール
  • (1R,8S,9R,16R)-8,16-ビス(4-ヒドロキシフェニル)-15-オキサテトラシクロ[8.6.1.02,7.014,17]ヘプタデカ-2,4,6,10(17),11,13-ヘキサエン-4,6,9,12-テトラオール
  • (1R,8S,9R,16R)-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaene-4,6,9,12-tetrol
Other name (3)：
  • (1R)-1α,7β-Bis(4-hydroxyphenyl)-1,6,7,11bα-tetrahydrobenzo[6,7]cyclohepta[1,2,3-cd]benzofuran-4,6α,8,10-tetrol
  • ヘムスレヤノールA
  • Hemsleyanol A
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