Ankaraholide a

Structural Information

Molecular Formula

C₉₀H₁₅₂O₂₈

SMILES

C[C@H]1C[C@H](C[C@@H](O1)CC[C@H](C)[C@@H]([C@H](C)[C@@H]2[C@H]([C@@H](C[C@@H](C[C@H](C[C@@H]3CC=C[C@H](O3)C[C@H](C/C=C(/C=C\C(=O)O[C@@H]([C@H]([C@@H](C[C@@H](C[C@H](C[C@@H]4CC=C[C@H](O4)C[C@H](C/C=C(\C=C\C(=O)O2)/C)O[C@@H]5[C@@H]([C@@H]([C@H](CO5)O)OC)OC)OC)O)O)C)[C@@H](C)[C@H]([C@@H](C)CC[C@H]6C[C@@H](C[C@@H](O6)C)OC)O)\C)O[C@@H]7[C@@H]([C@@H]([C@H](CO7)O)OC)OC)OC)O)O)C)O)OC

InChI

InChI=1S/C90H152O28/c1-51-25-31-69(115-89-87(107-17)85(105-15)77(95)49-109-89)43-63-21-19-23-65(113-63)45-73(103-13)40-62(92)42-76(94)58(8)84(60(10)82(100)54(4)30-34-68-48-72(102-12)38-56(6)112-68)118-80(98)36-28-52(2)26-32-70(116-90-88(108-18)86(106-16)78(96)50-110-90)44-64-22-20-24-66(114-64)46-74(104-14)39-61(91)41-75(93)57(7)83(117-79(97)35-27-51)59(9)81(99)53(3)29-33-67-47-71(101-11)37-55(5)111-67/h19-22,25-28,35-36,53-78,81-96,99-100H,23-24,29-34,37-50H2,1-18H3/b35-27-,36-28+,51-25+,52-26-/t53-,54-,55-,56-,57-,58-,59-,60-,61+,62+,63-,64-,65-,66-,67-,68-,69-,70-,71+,72+,73+,74+,75+,76+,77-,78-,81-,82-,83-,84-,85+,86+,87+,88+,89+,90+/m0/s1

InChIKey

PMOHGLKKBUNONX-PTYDLKIRSA-N

Compound name

(1R,3S,5E,7Z,11S,12S,13R,15S,17R,19S,23R,25S,27Z,29E,33S,34S,35R,37S,39R,41S)-13,15,35,37-tetrahydroxy-3,25-bis[[(2R,3R,4R,5S)-5-hydroxy-3,4-dimethoxyoxan-2-yl]oxy]-11,33-bis[(2S,3S,4S)-3-hydroxy-6-[(2S,4R,6S)-4-methoxy-6-methyloxan-2-yl]-4-methylhexan-2-yl]-17,39-dimethoxy-6,12,28,34-tetramethyl-10,32,45,46-tetraoxatricyclo[39.3.1.119,23]hexatetraconta-5,7,21,27,29,43-hexaene-9,31-dione

Related CIDs

• CID 146683702