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12-Oxoheteronemin
FEATURES
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NAMES
  • 12-Oxoheteronemin
SMILES
CC(=O)O[C@H]1C[C@@H]2[C@](C)(C(=O)C[C@@H]3[C@@]4(C)CCCC(C)(C)[C@@H]4CC[C@@]23C)[C@@H]2C1=CO[C@H]2OC(C)=O
InChI
InChI=1S/C29H42O6/c1-16(30)34-19-13-22-28(6)12-9-20-26(3,4)10-8-11-27(20,5)21(28)14-23(32)29(22,7)24-18(19)15-33-25(24)35-17(2)31/h15,19-22,24-25H,8-14H2,1-7H3/t19-,20-,21+,22-,24+,25-,27-,28+,29+/m0/s1
MOLECULAR FORMULA
C29H42O6
CROSS REFERENCES
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12-Oxoheteronemin

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 486.30
AlogP 5.59
HBond donors 0
HBond acceptors 6
Atoms 77
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 12-Oxoheteronemin.