Cas no 2189-86-8 (Acetyl-eburicoic-acid)
Acetyl-eburicoic-acid structure
Product Name:Acetyl-eburicoic-acid
CAS No:2189-86-8
MF:C33H52O4
MW:512.763590812683
CID:2011187
PubChem ID:44575769
Update Time:2025-04-21
Acetyl-eburicoic-acid Chemical and Physical Properties
Names and Identifiers
-
- Acetyl-eburicoic-acid
- (+)-Acetyl eburicoic acid
- (2R)-2-((3S,5R,10S,13R,14R,17R)-3-acetyloxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta(a)phenanthren-17-yl)-6-methyl-5-methylideneheptanoic acid
- 2189-86-8
- Acetyl eburicoic acid
- (2R)-2-[(3S,5R,10S,13R,14R,17R)-3-acetyloxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic acid
- CHEMBL486258
-
- Inchi: 1S/C33H52O4/c1-20(2)21(3)10-11-23(29(35)36)24-14-18-33(9)26-12-13-27-30(5,6)28(37-22(4)34)16-17-31(27,7)25(26)15-19-32(24,33)8/h20,23-24,27-28H,3,10-19H2,1-2,4-9H3,(H,35,36)
- InChI Key: IMWCOHWUNCFQDX-UHFFFAOYSA-N
- SMILES: CC(C(CCC(C(=O)O)C1C2(C(C3CCC4C(CCC(C4(C)C)OC(=O)C)(C)C=3CC2)(C)CC1)C)=C)C
Computed Properties
- Exact Mass: 512.38656014Da
- Monoisotopic Mass: 512.38656014Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 37
- Rotatable Bond Count: 8
- Complexity: 988
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 7
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 9.305
- Topological Polar Surface Area: 63.6?2
Acetyl-eburicoic-acid Related Literature
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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