Nobotanin f

Structural Information

Molecular Formula

C₈₂H₅₆O₅₂

SMILES

C1C2C(C3C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5C6=C(C(=C(C=C6C(=O)O3)O)O)O)O)O)O)OC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O1)OC9=C(C(=C(C=C9C(=O)OC1C(OC(C2C1OC(=O)C1=CC(=C(C(=C1C1=C(C(=C(C=C1C(=O)O2)O)O)O)O)O)O)OC(=O)C1=CC(=C(C(=C1)O)O)O)COC(=O)C1=CC(=C(C(=C1)O)O)O)O)O)O)O)O)O)O)O

InChI

InChI=1S/C82H56O52/c83-26-1-16(2-27(84)47(26)95)71(112)122-14-39-66(68-70(81(125-39)133-72(113)17-3-28(85)48(96)29(86)4-17)132-79(120)23-11-36(93)53(101)60(108)44(23)42-21(77(118)130-68)9-34(91)51(99)58(42)106)128-80(121)25-12-37(94)55(103)63(111)64(25)124-38-13-24-46(62(110)56(38)104)45-19(7-32(89)54(102)61(45)109)75(116)127-65-40(15-123-74(24)115)126-82(134-73(114)18-5-30(87)49(97)31(88)6-18)69-67(65)129-76(117)20-8-33(90)50(98)57(105)41(20)43-22(78(119)131-69)10-35(92)52(100)59(43)107/h1-13,39-40,65-70,81-111H,14-15H2

InChIKey

XDXYBJAIJZFTCY-UHFFFAOYSA-N

Compound name

[3,4,5,20,21,22-hexahydroxy-8,17-dioxo-11-(3,4,5-trihydroxybenzoyl)oxy-13-[(3,4,5-trihydroxybenzoyl)oxymethyl]-9,12,16-trioxatetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,18,20-hexaen-14-yl] 3,4,5-trihydroxy-2-[[7,8,9,12,13,14,29,30,33,34,35-undecahydroxy-4,17,25,38-tetraoxo-20-(3,4,5-trihydroxybenzoyl)oxy-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-28-yl]oxy]benzoate

Related CIDs

• CID 16130310