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beta-DIHYDROGEDUNOL
FEATURES
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NAMES
  • beta-DIHYDROGEDUNOL
SMILES
CC(=O)O[C@@H]1C[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)[C@H]4O[C@]43[C@]12C
InChI
InChI=1S/C28H38O7/c1-15(29)33-20-13-18-24(2,3)19(30)8-10-25(18,4)17-7-11-26(5)21(16-9-12-32-14-16)34-23(31)22-28(26,35-22)27(17,20)6/h9,12,14,17-22,30H,7-8,10-11,13H2,1-6H3/t17-,18+,19+,20-,21+,22-,25-,26+,27+,28-/m1/s1
MOLECULAR FORMULA
C28H38O7
CROSS REFERENCES
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beta-DIHYDROGEDUNOL

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 486.26
AlogP 4.58
HBond donors 1
HBond acceptors 7
Atoms 73
Contains toxicophore Yes
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by beta-DIHYDROGEDUNOL.