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5R,8R-Peroxydehydrotumulosic Acid
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NAMES
  • 5R,8R-Peroxydehydrotumulosic Acid
SMILES
C=C(CC[C@@H](C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)[C@]34C=C[C@@]5(OO3)C(C)(C)[C@@H](O)CC[C@]5(C)C4=CC[C@]12C)C(C)C
InChI
InChI=1S/C31H46O6/c1-18(2)19(3)9-10-20(25(34)35)24-21(32)17-29(8)28(24,7)13-11-22-27(6)14-12-23(33)26(4,5)31(27)16-15-30(22,29)36-37-31/h11,15-16,18,20-21,23-24,32-33H,3,9-10,12-14,17H2,1-2,4-8H3,(H,34,35)/t20-,21-,23+,24+,27-,28-,29-,30-,31-/m1/s1
MOLECULAR FORMULA
C31H46O6
CROSS REFERENCES
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5R,8R-Peroxydehydrotumulosic Acid

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 514.33
AlogP 5.60
HBond donors 3
HBond acceptors 6
Atoms 83
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 5R,8R-Peroxydehydrotumulosic Acid.