(1r,2r,20r,34r,35s,38s,42r,50s,55s,61s,62r)-7,8,9,12,13,14,25,26,27,30,31,32,38,46,48,61-hexadecahydroxy-3,18,21,36,43,54,56-heptaoxatetradecacyclo[27.26.3.242,45.135,38.135,51.02,20.05,10.011,16.023,28.033,58.034,52.044,49.050,55.041,62]dohexaconta-5,7,9,11,13,15,23,25,27,29(58),30,32,40,44,46,48,51-heptadecaene-4,17,22,37,39,53,57,59-octone

Structural Information

Molecular Formula

C₅₅H₃₄O₃₁

SMILES

C1[C@@H]([C@H]2C3=CC(=O)[C@]4([C@@H]3[C@]5([C@H]6C7=C(C5=O)[C@@H]([C@@H]([C@@H]8[C@H]9[C@@H](COC(=O)C3=CC(=C(C(=C3C3=C(C(=C(C=C3C(=O)O9)O)O)O)O)O)O)OC(=O)C3=CC(=C(C(=C3C3=C(C6=C(C(=C3O)O)O)C(=O)O8)O)O)O)OC7=O)C3=C(C=C(C1=C3O2)O)O)OC4=O)O)O

InChI

InChI=1S/C55H34O31/c56-13-6-14(57)24-26-27-30-31(55(47(27)72)46-12(5-20(62)54(46,79)53(78)86-55)41-18(61)1-8(13)42(24)82-41)29-28-25(38(69)40(71)39(29)70)23-11(4-17(60)34(65)37(23)68)49(74)81-19-7-80-48(73)9-2-15(58)32(63)35(66)21(9)22-10(3-16(59)33(64)36(22)67)50(75)83-43(19)45(85-51(28)76)44(26)84-52(30)77/h2-6,18-19,26,31,41,43-46,56-61,63-71,79H,1,7H2/t18-,19+,26-,31+,41+,43+,44-,45-,46+,54+,55-/m0/s1

InChIKey

FBMMPPRXNHNHJR-ZHHLGMFXSA-N

Compound name

(1R,2R,20R,34R,35S,38S,42R,50S,55S,61S,62R)-7,8,9,12,13,14,25,26,27,30,31,32,38,46,48,61-hexadecahydroxy-3,18,21,36,43,54,56-heptaoxatetradecacyclo[27.26.3.242,45.135,38.135,51.02,20.05,10.011,16.023,28.033,58.034,52.044,49.050,55.041,62]dohexaconta-5,7,9,11,13,15,23,25,27,29(58),30,32,40,44,46,48,51-heptadecaene-4,17,22,37,39,53,57,59-octone

Related CIDs

• CID 162821270