Isorugosin d

Structural Information

Molecular Formula

C₈₂H₅₈O₅₂

SMILES

C1C2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3OC4=C(C(=C5C(=C4)C(=O)OC6C(COC(=O)C7=CC(=C(C(=C75)O)O)O)OC(C(C6OC(=O)C8=CC(=C(C(=C8)O)O)O)OC(=O)C9=CC(=C(C(=C9)O)O)O)OC(=O)C2=CC(=C(C(=C2O)O)O)O)O)O)O)O)O)OC(=O)C2=CC(=C(C(=C2)O)O)O)OC(=O)C2=CC(=C(C(=C2)O)O)O)OC(=O)C2=CC(=C(C(=C2C2=C(C=CC(=C2O)O)C(=O)O1)O)O)O

InChI

InChI=1S/C82H58O52/c83-28-2-1-22-44(53(28)101)46-24(12-38(93)55(103)60(46)108)77(118)127-65-42(16-122-75(22)116)126-82(70(132-74(115)21-9-35(90)52(100)36(91)10-21)67(65)129-71(112)18-3-29(84)49(97)30(85)4-18)134-80(121)27-14-40(95)57(105)63(111)64(27)124-41-15-25-47(61(109)58(41)106)45-23(11-37(92)54(102)59(45)107)76(117)123-17-43-66(128-78(25)119)68(130-72(113)19-5-31(86)50(98)32(87)6-19)69(131-73(114)20-7-33(88)51(99)34(89)8-20)81(125-43)133-79(120)26-13-39(94)56(104)62(110)48(26)96/h1-15,42-43,65-70,81-111H,16-17H2

InChIKey

RRKSLFYXWXKOPJ-UHFFFAOYSA-N

Compound name

[3,4,21,22,23-pentahydroxy-8,18-dioxo-11,12-bis[(3,4,5-trihydroxybenzoyl)oxy]-5-[2,3,4-trihydroxy-6-[[3,4,5,22,23-pentahydroxy-8,18-dioxo-11,12-bis[(3,4,5-trihydroxybenzoyl)oxy]-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(19),2,4,6,20,22-hexaen-13-yl]oxycarbonyl]phenoxy]-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-13-yl] 2,3,4,5-tetrahydroxybenzoate

Related CIDs

• CID 16130313