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Aquilarabietic Acid E
FEATURES
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NAMES
  • Aquilarabietic acid E
SMILES
CC(C)(O)[C@]1(O)CCC2=C(C(=O)C[C@@H]3[C@]2(C)CCC[C@@]3(C)C(=O)O)[C@H]1O
InChI
InChI=1S/C20H30O6/c1-17(2,25)20(26)9-6-11-14(15(20)22)12(21)10-13-18(11,3)7-5-8-19(13,4)16(23)24/h13,15,22,25-26H,5-10H2,1-4H3,(H,23,24)/t13-,15-,18-,19-,20+/m1/s1
MOLECULAR FORMULA
C20H30O6
CROSS REFERENCES
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Aquilarabietic Acid E

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 366.20
AlogP 1.81
HBond donors 4
HBond acceptors 6
Atoms 56
Contains toxicophore No
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by Aquilarabietic Acid E.