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(22S,23S)-3alpha-fluorohomobrassinolide
FEATURES
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NAMES
  • (22S,23S)-3alpha-fluorohomobrassinolide
SMILES
CC[C@H](C(C)C)[C@H](O)[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3COC(=O)[C@H]4C[C@H](F)CC[C@]4(C)[C@H]3CC[C@@]21C
InChI
InChI=1S/C29H49FO4/c1-7-19(16(2)3)26(32)25(31)17(4)21-8-9-22-20-15-34-27(33)24-14-18(30)10-12-29(24,6)23(20)11-13-28(21,22)5/h16-26,31-32H,7-15H2,1-6H3/t17-,18+,19+,20-,21+,22-,23-,24+,25-,26-,28+,29+/m0/s1
MOLECULAR FORMULA
C29H49FO4
CROSS REFERENCES
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(22S,23S)-3alpha-fluorohomobrassinolide

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 480.36
AlogP 5.79
HBond donors 2
HBond acceptors 4
Atoms 83
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 (22S,23S)-3alpha-fluorohomobrassinolide.