Cas no 11032-62-5 ((2alpha,3beta,5xi,18alpha)-2,3,25-trihydroxyolean-12-en-28-oic acid)
11032-62-5 structure
Product Name:(2alpha,3beta,5xi,18alpha)-2,3,25-trihydroxyolean-12-en-28-oic acid
CAS No:11032-62-5
MF:C30H48O5
MW:488.699130058289
CID:1193088
PubChem ID:182035
Update Time:2025-04-20
(2alpha,3beta,5xi,18alpha)-2,3,25-trihydroxyolean-12-en-28-oic acid Chemical and Physical Properties
Names and Identifiers
-
- (2alpha,3beta,5xi,18alpha)-2,3,25-trihydroxyolean-12-en-28-oic acid
- 10,11-dihydroxy-12a-(hydroxymethyl)-2,2,6a,6b,9,9-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
- (4aS,6aS,6bR,10R,11R,12aS,12bS,14bR)-10,11-dihydroxy-12a-(hydroxymethyl)-2,2,6a,6b,9,9-hexamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid
- 2,3,25-Trihydroxyolean-12-en-28-oic acid
- AKOS015896750
- Olean-12-en-28-oic acid, 2,3,19-trihydroxy-, (2alpha,3beta,19alpha)-
- 11032-62-5
- (4aS,6aS,6aS,6bR,10R,11R,12aS,14bR)-10,11-dihydroxy-12a-(hydroxymethyl)-2,2,6a,6b,9,9-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
- DTXSID20911583
-
- Inchi： 1S/C30H48O5/c1-25(2)11-13-29(24(34)35)14-12-27(5)18(19(29)15-25)7-8-22-28(27,6)10-9-21-26(3,4)23(33)20(32)16-30(21,22)17-31/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20-,21?,22+,23+,27-,28-,29+,30-/m1/s1
- InChI Key： WDPNZZSUCIZMSX-ZKFZOLPESA-N
- SMILES： O[C@H]1[C@@H](C[C@@]2(CO)C(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: 488.35034
- Monoisotopic Mass: 488.35
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 35
- Rotatable Bond Count: 2
- Complexity: 937
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 8
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.3
- Topological Polar Surface Area: 98?2
Experimental Properties
- Density: 1.19
- Boiling Point: 606°C at 760 mmHg
- Flash Point: 334.3°C
- Refractive Index: 1.58
- PSA: 97.99
(2alpha,3beta,5xi,18alpha)-2,3,25-trihydroxyolean-12-en-28-oic acid Related Literature
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Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Patricia A. A. M. Vaz,Jo?o Rocha,Artur M. S. Silva New J. Chem., 2016,40, 8198-8201
-
Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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