Chem
J-GLOBAL ID:200907027047998412
Nikkaji number:J391.842D
Protopseudohypericin
プロトプソイドヒペリシン
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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:
C30 H18 O9
Molecular formula furigana:
C30-H18-O9
Molecular weight:
522.465
InChI:
InChI=1S/C30H18O9/c1-9-2-11-19(13(32)3-9)29(38)25-17(36)6-15(34)23-24-16(35)7-18(37)26-28(24)22(21(11)27(23)25)12-4-10(8-31)5-14(33)20(12)30(26)39/h2-7,31-37H,8H2,1H3
InChI key:
QFAPJWSQKUFHAP-UHFFFAOYSA-N
SMILES:
Cc1cc(O)c2c(c1)c1c3c4cc(CO)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-(ヒドロキシメチル)-13-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-(ヒドロキシメチル)-24-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-(hydroxymethyl)-24-methylheptacyclo[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):
プロトプソイドヒペリシン
Protopseudohypericin
1,3,4,6,8,15-Hexahydroxy-10-(hydroxymethyl)-13-methyldibenzo[a,o]perylene-7,16-dione
CAS registry number:
54328-09-5
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