Tsugaric Acid B
FEATURES
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NAMES
  • tsugaric acid B
SMILES
C=C(C)C(C)CC[C@@H](C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]1CC3
InChI
InChI=1S/C33H52O5/c1-19(2)20(3)10-11-22(29(36)37)28-25(35)18-33(9)24-12-13-26-30(5,6)27(38-21(4)34)15-16-31(26,7)23(24)14-17-32(28,33)8/h20,22,25-28,35H,1,10-18H2,2-9H3,(H,36,37)/t20?,22-,25-,26+,27+,28+,31-,32-,33+/m1/s1
MOLECULAR FORMULA
C33H52O5
CROSS REFERENCES
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Tsugaric Acid B
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight528.38
AlogP7.33
HBond donors2
HBond acceptors5
Atoms90
Contains toxicophoreYes
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by Tsugaric Acid B.