Chem
J-GLOBAL ID：200907015647366411   Nikkaji number：J393.134J

Protohypericin

プロトヒペリシン
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： C30H18O8
Molecular formula furigana： C30-H18-O8
Molecular weight： 506.466
InChI： InChI=1S/C30H18O8/c1-9-3-11-19(13(31)5-9)29(37)25-17(35)7-15(33)23-24-16(34)8-18(36)26-28(24)22(21(11)27(23)25)12-4-10(2)6-14(32)20(12)30(26)38/h3-8,31-36H,1-2H3
InChI key： YLILOANQCQKPOD-UHFFFAOYSA-N
SMILES： Cc1cc(O)c2c(c1)c1c3c4cc(C)cc(O)c4C(=O)c4c(O)cc(O)c(c5c(O)cc(O)c(c15)C2=O)c34
Systematic name  (3)：
  • 1,3,4,6,8,15-ヘキサヒドロキシ-10,13-ジメチルジベンゾ[a,o]ペリレン-7,16-ジオン
  • 7,11,13,16,18,22-ヘキサヒドロキシ-5,24-ジメチルヘプタシクロ[13.11.1.12,10.03,8.019,27.021,26.014,28]オクタコサ-1,3,5,7,10,12,14(28),15(27),16,18,21,23,25-トリデカエン-9,20-ジオン
  • 7,11,13,16,18,22-hexahydroxy-5,24-dimethylheptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1,3,5,7,10,12,14(28),15(27),16,18,21,23,25-tridecaene-9,20-dione
Other name (3)：
  • プロトヒペリシン
  • Protohypericin
  • 1,3,4,6,8,15-Hexahydroxy-10,13-dimethyldibenzo[a,o]perylene-7,16-dione
CAS registry number： 548-03-8
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