Oleanonic acid

For Research Use Only.
Category
Terpenes
Cat.No.
NP6303
CAS
17990-42-0
Product Name
Oleanonic acid
Structure

Product Details

Description
3-oxo-Olean-12-en-28-oic acid is a natural compound isolated from the leaves of Eriobotrya japonica Thunb.
Synonyms
oleanonic acid;17990-42-0;3-oxo-olean-12-en-28-oic acid;Olean-12-en-28-oic acid, 3-oxo-;3-OXOOLEANOLIC ACID;CHEMBL470029;(4aS,6aR,6aS,6bR,8aR,12aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid;3-Oxoolean-12-en-28-oic Acid;oleanonicacid;3-Oxooleanolicacid;(4AS,6AS,6BR,8AR,12AR,12BR,14BS)-2,2,6A,6B,9,9,12A-HEPTAMETHYL-10-OXO-3,4,5,6,7,8,8A,11,12,12B,13,14B-DODECAHYDRO-1H-PICENE-4A-CARBOXYLIC ACID;Oleoside 11-methylester;SCHEMBL246220;3-Oxo-olean-12-en28-saure;DTXSID90939279;HY-N1487;BDBM50346613;MFCD09752411;s9505;AKOS032948921;CS-5795;AC-33969;AS-76428;DA-49628;1ST183267;F16163;Q-100212;(4aS,6aR,6aS,6bR,8aR,12aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylicacid;3-Oxo-olean-12-en-28-oic acidOlean-12-en-28-oic acid, 3-oxo-; 3-oxo-olean-12-en-28-oic acid; 3-Oxoolean-12-en-28-oic Acid;
IUPAC Name
(4aS,6aR,6aS,6bR,8aR,12aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid
Molecular Weight
526.4
Molecular Formula
C24H24BrN5O4
Canonical SMILES
CNC(=O)C1=C(C(=CC(=C1)Br)[N+](=O)[O-])N[C@@H]2CCCC[C@@H]2NC(=O)C3=CN=CC4=CC=CC=C43
InChI
InChI=1S/C30H46O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-22H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,27-,28+,29+,30-/m0/s1
InChIKey
FMIMFCRXYXVFTA-FUAOEXFOSA-N
Boiling Point
551.7±50.0 °C(Predicted)
Melting Point
190 °C
Purity
98.0%
Density
1.09±0.1 g/cm3(Predicted)
Solubility
Chloroform (Slightly), methanol (Slightly, Heated)
Appearance
Solid
Storage
Refrigerator
Color
White
Form
Solid
pKa
4.65±0.70(Predicted)
Uses
Oleanonic Acid, is a derivative of Oleanolic Acid (O521000), which has been evaluated in vitro for their growth inhibition against human hepatocellular carcinoma cell line (HepG2) and colon cancer cell line, and thus used as antitumor agents.
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