Lambertianin b

Structural Information

Molecular Formula

C₉₆H₅₈O₆₀

SMILES

C1C2C(C3C(C(O2)OC(=O)C4=CC(=C(C(=C4)OC5=C(C(=C(C6=C5C(=O)OC7C(COC(=O)C8=CC(=C(C(=C86)O)O)O)OC(C9C7OC(=O)C2=CC(=C(C(=C2C2=C(C(=C(C=C2C(=O)O9)O)O)O)O)O)O)OC(=O)C2=CC(=C(C(=C2)OC2=C(C(=C4C5=C2C(=O)OC2=C5C(=CC(=C2O)O)C(=O)O4)O)O)O)O)O)O)O)O)O)OC(=O)C2=CC(=C(C(=C2C2=C(C(=C(C=C2C(=O)O3)O)O)O)O)O)O)OC(=O)C2=CC(=C(C(=C2C2=C(C(=C(C=C2C(=O)O1)O)O)O)O)O)O

InChI

InChI=1S/C96H58O60/c97-25-1-15(83(129)155-95-81-79(151-88(134)20-8-30(102)55(111)63(119)41(20)43-22(90(136)153-81)10-32(104)57(113)65(43)121)73-37(145-95)13-141-85(131)17-5-27(99)53(109)61(117)39(17)40-19(87(133)147-73)7-29(101)54(110)62(40)118)3-35(51(25)107)143-77-49-47(68(124)69(125)70(77)126)45-18(6-28(100)59(115)67(45)123)86(132)142-14-38-74(148-93(49)139)80-82(154-91(137)23-11-33(105)58(114)66(122)44(23)42-21(89(135)152-80)9-31(103)56(112)64(42)120)96(146-38)156-84(130)16-2-26(98)52(108)36(4-16)144-78-50-48-46-24(92(138)149-76(48)71(127)72(78)128)12-34(106)60(116)75(46)150-94(50)140/h1-12,37-38,73-74,79-82,95-128H,13-14H2

InChIKey

KQHYALTVYSPZPQ-UHFFFAOYSA-N

Compound name

(7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-20-yl) 3-[[20-[3,4-dihydroxy-5-[(6,7,13,14-tetrahydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4(16),5,7,11,13-hexaen-5-yl)oxy]benzoyl]oxy-7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32(37),33,35-dodecaen-36-yl]oxy]-4,5-dihydroxybenzoate

Related CIDs

• CID 157010099