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BROMOBUTYL-3BETA-HYDROXY-URS-12-EN-28-OATE
FEATURES
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NAMES
  • BROMOBUTYL-3BETA-HYDROXY-URS-12-EN-28-OATE
SMILES
C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)OCCCCBr)CC[C@H]1C
InChI
InChI=1S/C34H55BrO3/c1-22-12-17-34(29(37)38-21-9-8-20-35)19-18-32(6)24(28(34)23(22)2)10-11-26-31(5)15-14-27(36)30(3,4)25(31)13-16-33(26,32)7/h10,22-23,25-28,36H,8-9,11-21H2,1-7H3/t22-,23+,25+,26-,27+,28+,31+,32-,33-,34+/m1/s1
MOLECULAR FORMULA
C34H55BrO3
CROSS REFERENCES
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BROMOBUTYL-3BETA-HYDROXY-URS-12-EN-28-OATE

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 590.33
AlogP 8.72
HBond donors 1
HBond acceptors 3
Atoms 93
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 BROMOBUTYL-3BETA-HYDROXY-URS-12-EN-28-OATE.