Cas no 7089-38-5 ((3beta,5xi,9xi,18xi)-28-hydroxyolean-12-en-3-yl acetate)
7089-38-5 structure
Product Name:(3beta,5xi,9xi,18xi)-28-hydroxyolean-12-en-3-yl acetate
CAS No:7089-38-5
MF:C32H52O3
MW:484.753490447998
CID:1746756
PubChem ID:118796402
Update Time:2025-04-21
(3beta,5xi,9xi,18xi)-28-hydroxyolean-12-en-3-yl acetate Chemical and Physical Properties
Names and Identifiers
-
- (3beta,5xi,9xi,18xi)-28-hydroxyolean-12-en-3-yl acetate
- [(3S,6aR,6bS,8aS,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] acetate
- DTXSID30991174
- 28-Hydroxyolean-12-en-3-yl acetate
- Erythrodiol 3-acetate
- 3-O-Acetylerythrodiol
- Olean-12-ene-3,28-diol, 3-acetate, (3beta)-
- 7089-38-5
- ((3S,6aR,6bS,8aS,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl) acetate
- [(3S,6aR,6bS,8aS,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] acetate
-
- Inchi： 1S/C32H52O3/c1-21(34)35-26-12-13-29(6)24(28(26,4)5)11-14-31(8)25(29)10-9-22-23-19-27(2,3)15-17-32(23,20-33)18-16-30(22,31)7/h9,23-26,33H,10-20H2,1-8H3/t23-,24?,25+,26-,29-,30+,31+,32+/m0/s1
- InChI Key： HXBWNAVRXULPIK-HTQKRWCJSA-N
- SMILES： O(C(C)=O)[C@H]1CC[C@@]2(C)C(C1(C)C)CC[C@@]1(C)[C@]3(C)CC[C@@]4(CO)CCC(C)(C)C[C@H]4C3=CC[C@@H]12
Computed Properties
- Exact Mass: 484.391646
- Monoisotopic Mass: 484.391646
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 35
- Rotatable Bond Count: 3
- Complexity: 916
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 46.5
- XLogP3: 8.1
Experimental Properties
- Density: 1.06
- Boiling Point: 533.4°C at 760 mmHg
- Flash Point: 191.9°C
- Refractive Index: 1.54
(3beta,5xi,9xi,18xi)-28-hydroxyolean-12-en-3-yl acetate 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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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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