Coronalolic Acid

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Catalog Number ACM268214524
CAS 268214-52-4
IUPAC Name 3-[(1S,4R,5R,8S,9S,12R,13R)-12-(3-hydroxyprop-1-en-2-yl)-4,8-dimethyl-5-[(E,2R)-6-methyl-7-oxohept-5-en-2-yl]-13-tetracyclo[7.5.0.01,13.04,8]tetradecanyl]propanoic acid
Molecular Weight 470.7
Molecular Formula C30H46O4
Canonical SMILES CC(CCC=C(C)C=O)C1CCC2(C1(CCC34C2CCC(C3(C4)CCC(=O)O)C(=C)CO)C)C
Inchi InChI=1S/C30H46O4/c1-20(17-31)7-6-8-21(2)23-11-13-28(5)25-10-9-24(22(3)18-32)29(14-12-26(33)34)19-30(25,29)16-15-27(23,28)4/h7,17,21,23-25,32H,3,6,8-16,18-19H2,1-2,4-5H3,(H,33,34)/b20-7+/t21-,23-,24+,25+,27-,28+,29-,30+/m1/s1
InChIKey IOFXIXOKOAYADV-ICQJXUMVSA-N
Purity 98%
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