(3β,12β,14β,17α)-3-[(O-2,6-Dideoxy-3-O-methyl-α-L-ribo-hexopyranosyl-(1→4)-O-2,6-dideoxy-3-O-methyl-β-D-arabino-hexopyranosyl-(1→4)-O-2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl-(1→4)-O-2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl)oxy]-8,14,17-trihydroxy-12-[(4-hydroxybenzoyl)oxy]pregn-5-en-20-one (ACI)
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Basic information
| GHS | |
|---|---|
| Smiles | O[C@@]12CC=C3C[C@H](CC[C@]3(C)[C@@]1([H])C[C@@H](OC(C1C=CC(O)=CC=1)=O)[C@@]1([C@](CC[C@]21O)(O)C(=O)C)C)O[C@@H]1O[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@@H]3O[C@H](C)[C@@H](O[C@@H]4O[C@@H](C)[C@H](O)[C@H](OC)C4)[C@H](OC)C3)[C@@H](OC)C2)[C@@H](OC)C1 |
| Inchi | InChI=1S/C56H84O20/c1-28-47(59)37(64-8)23-44(68-28)74-49-30(3)70-46(25-39(49)66-10)76-50-31(4)71-45(26-40(50)67-11)75-48-29(2)69-43(24-38(48)65-9)72-36-17-18-52(6)34(22-36)16-19-55(62)41(52)27-42(73-51(60)33-12-14-35(58)15-13-33)53(7)54(61,32(5)57)20-21-56(53,55)63/h12-16,28-31,36-50,58-59,61-63H,17-27H2,1-11H3/t28-,29+,30+,31+,36-,37+,38-,39+,40-,41+,42+,43-,44-,45-,46-,47-,48+,49+,50+,52-,53+,54+,55-,56+/m0/s1 |
| InchiKey | HXWUVAUZONGLJI-QGQMRWPDSA-N |
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