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218600-48-7 | Oleana-2,12-dieno[2,3-d]isoxazol-28-oic acid
CAS No: 218600-48-7 Catalog No: AG00C20G MDL No:
Product Description
Catalog Number:
AG00C20G
Chemical Name:
Oleana-2,12-dieno[2,3-d]isoxazol-28-oic acid
CAS Number:
218600-48-7
IUPAC Name:
(1R,2S,5S,10S,14R,15R,23R)-1,2,8,8,15,22,22-heptamethyl-20-oxa-19-azahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17(21),18-triene-5-carboxylic acid
InChI:
InChI=1S/C31H45NO3/c1-26(2)12-14-31(25(33)34)15-13-29(6)20(21(31)17-26)8-9-23-28(5)16-19-18-32-35-24(19)27(3,4)22(28)10-11-30(23,29)7/h8,18,21-23H,9-17H2,1-7H3,(H,33,34)/t21-,22-,23+,28-,29+,30+,31-/m0/s1
InChI Key:
KAVKWHJDPYCYQA-VNNAKPRGSA-N
Properties
Complexity:
968
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
7
Defined Bond Stereocenter Count:
0
Exact Mass:
479.34g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
479.705g/mol
Monoisotopic Mass:
479.34g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.8
Literature
| Title | Journal |
|---|---|
| Synthesis and biological evaluation of heterocyclic ring-substituted maslinic acid derivatives as novel inhibitors of protein tyrosine phosphatase 1B. | Bioorganic & medicinal chemistry letters 20091201 |
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