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2 Alpha-Acetyl Tomentic Acid
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NAMES
  • 2 Alpha-Acetyl Tomentic Acid
SMILES
CC(=O)O[C@@H]1C[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@H]4[C@](C(=O)O)(CC[C@@H](C)[C@@]4(C)O)CC[C@]23C)C(C)(C)[C@H]1O
InChI
InChI=1S/C32H50O6/c1-18-11-14-32(26(35)36)16-15-29(6)20(24(32)31(18,8)37)9-10-23-28(5)17-21(38-19(2)33)25(34)27(3,4)22(28)12-13-30(23,29)7/h9,18,21-25,34,37H,10-17H2,1-8H3,(H,35,36)/t18-,21-,22+,23-,24-,25+,28+,29-,30-,31-,32+/m1/s1
MOLECULAR FORMULA
C32H50O6
CROSS REFERENCES
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2 Alpha-Acetyl Tomentic Acid

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 530.36
AlogP 5.75
HBond donors 3
HBond acceptors 6
Atoms 88
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 2 Alpha-Acetyl Tomentic Acid.