Cas no 364062-05-5 (Olean-12-en-28-oicacid, 2,3-dihydroxy-, ethyl ester, (2a,3b)- (9CI))
364062-05-5 structure
Product Name:Olean-12-en-28-oicacid, 2,3-dihydroxy-, ethyl ester, (2a,3b)- (9CI)
CAS No:364062-05-5
MF:C32H52O4
MW:500.752890586853
CID:297225
PubChem ID:76327970
Update Time:2024-02-29
Olean-12-en-28-oicacid, 2,3-dihydroxy-, ethyl ester, (2a,3b)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Olean-12-en-28-oicacid, 2,3-dihydroxy-, ethyl ester, (2a,3b)- (9CI)
- Ethylmaslinate
- (2α,3β)-2,3-Dihydroxy-olean-12-en-28-oic acid ethyl ester
- (2alpha,3beta)-2,3-Dihydroxy-olean-12-en-28-oic acid ethyl ester
- Olean-12-en-28-oic acid, 2,3-dihydroxy-, ethyl ester, (2α,3β)-
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- Inchi： 1S/C32H52O4/c1-9-36-26(35)32-16-14-27(2,3)18-21(32)20-10-11-24-29(6)19-22(33)25(34)28(4,5)23(29)12-13-31(24,8)30(20,7)15-17-32/h10,21-25,33-34H,9,11-19H2,1-8H3/t21-,22+,23-,24+,25-,29-,30+,31+,32-/m0/s1
- InChI Key： ANCMAMDWGUIQTE-PROZZQCMSA-N
- SMILES： [C@]12(C)C[C@@H](O)[C@H](O)C(C)(C)[C@]1([H])CC[C@]1(C)[C@]2([H])CC=C2[C@]3([H])CC(CC[C@@]3(CC[C@@]12C)C(OCC)=O)(C)C
Computed Properties
- Exact Mass: 500.38656014g/mol
- Monoisotopic Mass: 500.38656014g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 36
- Rotatable Bond Count: 3
- Complexity: 950
- 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
- XLogP3: 7.2
- Topological Polar Surface Area: 66.8?2
Olean-12-en-28-oicacid, 2,3-dihydroxy-, ethyl ester, (2a,3b)- (9CI) Related Literature
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
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