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Oleanonic acid

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Category Human immunodeficiency Virus (HIV)
CAS 17990-42-0
Description 3-oxo-Olean-12-en-28-oic acid is a natural compound isolated from the leaves of Eriobotrya japonica Thunb.
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Product Information

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

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