PFAS
全球PFAS筛查数据库
原伪金丝桃素
Protopseudohypericin
Dibenzo[a,o]perylene-7,16-dione, 1,3,4,6,8,15-hexahydroxy-10-(hydroxymethyl)-13-methyl-, 1,3,4,6,8,15-Hexahydroxy-10-(hydroxymethyl)-13-methyldibenzo[a,o]perylene-7,16-dione
CAS号: 54328-09-5
IUPAC名称: 9,11,13,16,18,20-hexahydroxy-5-(hydroxymethyl)-24-methylheptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1,3,5,8,10,12,14(28),15(27),16,18,20,23,25-tridecaene-7,22-dione
分子式: C30H18O9
分子量: 522.458
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/h2-7,31,34-39H,8H2,1H3
InChIKey: KBECZWWSHDRKOW-UHFFFAOYSA-N
SMILES: CC1=CC(=O)C2=C(C3=C(C=C(C4=C3C(=C5C6=CC(=CC(=O)C6=C(C7=C(C=C(C4=C57)O)O)O)CO)C2=C1)O)O)O
EINECS: -
