Name: Acetoxyvalerenic Acid
CAS#: 84638-55-1
Chemical Formula: C17H24O4
Exact Mass: 292.1675
Molecular Weight: 292.375
Elemental Analysis: C, 69.84; H, 8.27; O, 21.89
Description: Acetoxyvalerenic acid is a sesquiterpenic acid that has been found in Valeriana roots. It is cytotoxic to GLC-4 and COLO 320 cells.
IUPAC/Chemical Name: (E)-3-((1R,4S,7R,7aR)-1-acetoxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl)-2-methylacrylic acid
InChi Key: VBBXZFLAYWAXSK-HYJCDKNOSA-N
InChi Code: InChI=1S/C17H24O4/c1-9-5-6-13(7-11(3)17(19)20)15-10(2)8-14(16(9)15)21-12(4)18/h7,9,13-14,16H,5-6,8H2,1-4H3,(H,19,20)/b11-7+/t9-,13+,14-,16+/m1/s1
SMILES Code: OC(/C(C)=C/[C@H]1C2=C(C[C@H]([C@@]2([C@H](C)CC1)[H])OC(C)=O)C)=O
Appearance: Solid powder
关键字: 84638-55-1;Acetoxyvalerenic ;
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