Cas no 26707-60-8 (Augustic acid)
Augustic acid structure
Product Name:Augustic acid
CAS No:26707-60-8
MF:C30H48O4
MW:472.699729919434
CID:249974
PubChem ID:15560128
Update Time:2024-02-29
Augustic acid Chemical and Physical Properties
Names and Identifiers
-
- Olean-12-en-28-oic acid, 2,3-dihydroxy-, (2.beta.,3.beta.)-
- (2β,3β)-2,3-Dihydroxy-olean-12-en-28-oic acid
- 2.beta.,3.beta.-Dihydroxyolean-12-en-28-oic acid
- 2.beta.-Hydroxyoleanolic acid
- Augustic acid
- Olean-12-en-28-oic acid, 2.beta.,3.beta.-dihydroxy- (7CI,8CI)
- 2-hydroxyoleanolic acid
- BDBM50299747
- 26707-60-8
- CHEMBL482673
- (4aS,6aR,6aS,6bR,8aR,10R,11S,12aR,14bS)-10,11-dihydroxy-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
- 2beta,3beta-Dihydroxyolean-12-en-28-oic Acid
- DTXSID101317673
- SCHEMBL829270
-
- Inchi： 1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20-,21-,22+,23-,27-,28+,29+,30-/m0/s1
- InChI Key： MDZKJHQSJHYOHJ-KRGADYIYSA-N
- SMILES： O[C@H]1[C@H](C[C@@]2(C)[C@H](C1(C)C)CC[C@@]1(C)[C@]3(C)CC[C@@]4(C(=O)O)CCC(C)(C)C[C@H]4C3=CC[C@@H]12)O
Computed Properties
- Exact Mass: 472.35526001g/mol
- Monoisotopic Mass: 472.35526001g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 34
- Rotatable Bond Count: 1
- Complexity: 919
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 9
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 77.8
- XLogP3: 6.5
Augustic acid Related Literature
-
Huaming Sheng,Hongbin Sun Nat. Prod. Rep. 2011 28 543
-
Joseph D. Connolly,Robert A. Hill Nat. Prod. Rep. 1999 16 221
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