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3-​O-​Acetyloleanolic acid

CAT: 1410-M20345-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1410-M20345-06Size:100 mg
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Description
3-O-acetyloleanolic acid dose-dependently inhibited the viability of HCT-116 cells. Apoptosis was characterized by detection of cell surface annexin V and sub-G1 apoptotic cell populations.
CAS Number
4339-72-4
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
498.74
Molecular Formula
C32H50O4
Notes
Research use only, not for human use.
Receptor
Apoptosis

Chemical Information

3-O-Acetyloleanolic Acid

Acetyloleanolic acid has been reported in Anemone raddeana, Elliottia paniculata, and other organisms with data available.

CAS Number4339-72-4
PubChem CID151202
IUPAC Name(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-acetyloxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Molecular FormulaC32H50O4
Molecular Weight498.7
XLogP8.1
Topological Polar Surface Area63.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count36
Formal Charge0
Complexity992
SMILES
CC(=O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)C
InChI
InChI=1S/C32H50O4/c1-20(33)36-25-12-13-29(6)23(28(25,4)5)11-14-31(8)24(29)10-9-21-22-19-27(2,3)15-17-32(22,26(34)35)18-16-30(21,31)7/h9,22-25H,10-19H2,1-8H3,(H,34,35)/t22-,23-,24+,25-,29-,30+,31+,32-/m0/s1
InChIKey
RIXNFYQZWDGQAE-DFHVBEEKSA-N
Chemical Structure
2D Structure
2D structure of 3-O-Acetyloleanolic Acid
CAS: 4339-72-4
CID: 151202
Formula: C32H50O4
MW: 498.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight498.7
XLogP38.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass498.37091007
Monoisotopic Mass498.37091007
Topological Polar Surface Area63.6 Ų
Heavy Atom Count36
Formal Charge0
Complexity992
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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