化学式

CAS号

IUPAC Name

2-[7-[6-[[6,7,8,11,12,13,23-heptahydroxy-3,16-二氧代-21-(3,4,5-trihydroxybenzoyl)氧基-2,17,20-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-4,6,8,10,12,14-hexaen-22-基]oxycarbonyl]-2,3,4-三羟基苯基]-3,6-二氧代-2,5-二氧杂双环[2.2.1]庚烷-1-基]乙酸 2-[7-[6-[[6,7,8,11,12,13,23-heptahydroxy-3,16-dioxo-21-(3,4,5-trihydroxybenzoyl)oxy-2,17,20-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-4,6,8,10,12,14-hexaen-22-yl]oxycarbonyl]-2,3,4-trihydroxyphenyl]-3,6-dioxo-2,5-dioxabicyclo[2.2.1]heptan-1-yl]acetic acid

InChI

InChI=1S/C41H30O28/c42-12-1-8(2-13(43)23(12)49)34(57)68-39-33(66-37(60)11-5-16(46)26(52)30(56)21(11)22-31-38(61)69-41(22,6-18(47)48)40(62)67-31)32-27(53)17(64-39)7-63-35(58)9-3-14(44)24(50)28(54)19(9)20-10(36(59)65-32)4-15(45)25(51)29(20)55/h1-5,17,22,27,31-33,39,42-46,49-56H,6-7H2,(H,47,48)

InChI Key

ZDHWXODWIIRYAA-UHFFFAOYSA-N

Canonical SMILES

C1C2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4C5C6C(=O)OC5(C(=O)O6)CC(=O)O)O)O)O)OC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O1)O)O)O)O)O)O)O

别名

• Mallotinin