(2R,3R,3aS,7R,8aS,9S,10aR,11S,12R,13aR,13bS,15S,18S,21S,24S,26R,28R,29aS)-Octacosahydro-3-methoxy-26-methyl-20,27-bis(methylene)-5-oxo-11,15:18,21:24,28-triepoxy-7,9-ethano-12,15-methano-9H,15H-furo[3,2-i]furo[2′,3′:5,6]pyrano[4,3-b][1,4]dioxacyclopentacosin-2-acetic acid (ACI)
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Basic information
| GHS | |
|---|---|
| Smiles | C=C1[C@@]2([H])O[C@@]([H])(CC[C@@]34C[C@@]5([H])O[C@]6([H])[C@@]([H])(O[C@@]7([H])CC[C@]([H])(CC(C[C@]8([H])[C@@H](OC)[C@@H](CC(=O)O)O[C@@]8([H])C[C@]8([H])C(=C)[C@H](C)C[C@]([H])(CC2)O8)=O)O[C@]7([H])[C@]6([H])O3)[C@@]5([H])O4)C1 |
| Inchi | InChI=1S/C39H54O12/c1-18-11-22-5-7-26-19(2)12-24(44-26)9-10-39-17-31-35(50-39)36-37(49-31)38(51-39)34-27(48-36)8-6-23(46-34)13-21(40)14-25-29(15-28(45-22)20(18)3)47-30(16-32(41)42)33(25)43-4/h18,22-31,33-38H,2-3,5-17H2,1,4H3,(H,41,42)/t18-,22+,23-,24+,25+,26+,27+,28-,29+,30-,31-,33-,34+,35+,36+,37-,38+,39+/m1/s1 |
| InchiKey | MMXLXZXUTSPLIE-NQUHWWRFSA-N |
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