3-[(2E,4E)-5-[(1S,2S,3S,6R)-3-(Acetyloxy)-1,2,6-Trimethyl-5-Oxocyclohexyl]-3-Methyl-2,4-Pentadien-1-Yl]-5-Chloro-2,4-Dihydroxy-6-Methyl-Benzaldehyde
[CAS# 22738-98-3]

Identification

• Name: 3-[(2E,4E)-5-[(1S,2S,3S,6R)-3-(Acetyloxy)-1,2,6-Trimethyl-5-Oxocyclohexyl]-3-Methyl-2,4-Pentadien-1-Yl]-5-Chloro-2,4-Dihydroxy-6-Methyl-Benzaldehyde
• Synonyms: 3-Chloro-4,6-Dihydroxy-2-Methyl-5-[(2E,4E)-3-Methyl-5-[(1S)-5Α-Acetoxy-1Β,2Β,6Β-Trimethyl-3-Oxocyclohexyl]-2,4-Pentadienyl]Benzaldehyde; 5-Chloro-2,4-Dihydroxy-6-Methyl-3-[(2E,4E)-5-[(1S)-3Β-Acetoxy-1,2Α,6Α-Trimethyl-5-Oxocyclohexyl]-3-Methyl-2,4-Pentadienyl]Benzaldehyde; 8'-Acetoxyascochlorin
• Molecular Formula: C₂₅H₃₁ClO₆
• Molecular Weight: 462.96
• CAS Registry Number: 22738-98-3
• SMILES: O=Cc1c(O)c(C/C=C(/C=C/[C@]2(C)[C@@H](C)C(=O)C[C@@H]([C@H]2C)OC(=O)C)\C)c(c(c1C)Cl)O
• InChI: 1S/C25H31ClO6/c1-13(7-8-18-23(30)19(12-27)14(2)22(26)24(18)31)9-10-25(6)15(3)20(29)11-21(16(25)4)32-17(5)28/h7,9-10,12,15-16,21,30-31H,8,11H2,1-6H3/b10-9+,13-7+/t15-,16+,21-,25+/m0/s1