Cas no 17990-43-1 (12-oleanen-28-oic acid)
12-oleanen-28-oic acid structure
Product Name:12-oleanen-28-oic acid
CAS No:17990-43-1
MF:C30H48O2
MW:440.700929641724
CID:2038035
PubChem ID:14208454
Update Time:2025-04-21
12-oleanen-28-oic acid Chemical and Physical Properties
Names and Identifiers
-
- 12-oleanen-28-oic acid
- 3-dehydroxy-oleanolic acid
- 3-deoxyoleanolic acid
- olean-12-en-28-oic acid
- oleanan-12-en-28-oic acid
- oleanic acid
- oleanoic acid
- SCHEMBL178210
- BDBM50246736
- DTXSID201313943
- (4aS,6aS,6bR,8aS,12aS,12bR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid
- (4aS,6aR,6aS,6bR,8aS,12aS,14bS)-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
- 17990-43-1
- CHEMBL472896
- AMY31586
-
- Inchi： 1S/C30H48O2/c1-25(2)15-17-30(24(31)32)18-16-28(6)20(21(30)19-25)9-10-23-27(5)13-8-12-26(3,4)22(27)11-14-29(23,28)7/h9,21-23H,8,10-19H2,1-7H3,(H,31,32)/t21-,22-,23+,27-,28+,29+,30-/m0/s1
- InChI Key： MXEMKMNFLXVQBW-CDNBJWEZSA-N
- SMILES： OC([C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CCCC(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)=O
Computed Properties
- Exact Mass: 440.365430770g/mol
- Monoisotopic Mass: 440.365430770g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 32
- Rotatable Bond Count: 1
- Complexity: 851
- 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
- Topological Polar Surface Area: 37.3?2
12-oleanen-28-oic acid Related Literature
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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