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Methyl Quadrangularate
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NAMES
  • Methyl Quadrangularate
SMILES
C=C(C)[C@@H](O)CC[C@@H](CO)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@](C)(C(=O)OC)[C@@H](O)C[C@H](O)[C@@]45C[C@@]35CC[C@]12C
InChI
InChI=1S/C31H50O6/c1-18(2)21(33)8-7-19(16-32)20-11-12-28(4)22-9-10-23-29(5,26(36)37-6)24(34)15-25(35)31(23)17-30(22,31)14-13-27(20,28)3/h19-25,32-35H,1,7-17H2,2-6H3/t19-,20+,21-,22-,23-,24-,25-,27+,28-,29-,30-,31+/m0/s1
MOLECULAR FORMULA
C31H50O6
CROSS REFERENCES
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Methyl Quadrangularate

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 518.36
AlogP 4.24
HBond donors 4
HBond acceptors 6
Atoms 87
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 Methyl Quadrangularate.