Ceanothic Acid Acetate

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Catalog Number ACM119533630
CAS 119533-63-0
Structure {[CurrentData.Name]}
IUPAC Name (1R,2R,5S,8R,9R,10R,13R,14R,15R,16S,18R)-16-acetyloxy-1,2,14,17,17-pentamethyl-8-prop-1-en-2-ylpentacyclo[11.7.0.02,10.05,9.014,18]icosane-5,15-dicarboxylic acid
Molecular Weight 528.7
Molecular Formula C32H48O6
Canonical SMILES CC(=C)C1CCC2(C1C3CCC4C(C3(CC2)C)(CCC5C4(C(C(C5(C)C)OC(=O)C)C(=O)O)C)C)C(=O)O
Inchi InChI=1S/C32H48O6/c1-17(2)19-11-14-32(27(36)37)16-15-29(6)20(23(19)32)9-10-22-30(29,7)13-12-21-28(4,5)25(38-18(3)33)24(26(34)35)31(21,22)8/h19-25H,1,9-16H2,2-8H3,(H,34,35)(H,36,37)/t19-,20+,21-,22-,23+,24+,25-,29+,30+,31-,32-/m0/s1
InChIKey HMTHVBZILGKTGT-VSBKJJMFSA-N
Purity 98%
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