SWIETENOLIDE-3-ACETATE
FEATURES
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NAMES
  • 3-O-Acetylswietenolide
  • SWIETENOLIDE-3-ACETATE
SMILES
COC(=O)[C@H](O)[C@H]1C(C)(C)[C@H](OC(C)=O)[C@@H]2CC3=C4CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CC[C@@H]3[C@@]1(C)C2=O
InChI
InChI=1S/C29H36O9/c1-14(30)37-25-17-11-16-18(29(5,23(17)33)22(27(25,2)3)21(32)26(34)35-6)7-9-28(4)19(16)12-20(31)38-24(28)15-8-10-36-13-15/h8,10,13,17-18,21-22,24-25,32H,7,9,11-12H2,1-6H3/t17-,18+,21-,22+,24+,25-,28-,29-/m1/s1
MOLECULAR FORMULA
C29H36O9
CROSS REFERENCES
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SWIETENOLIDE-3-ACETATE
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight528.24
AlogP3.70
HBond donors1
HBond acceptors9
Atoms74
Contains toxicophoreNo
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by SWIETENOLIDE-3-ACETATE.