Cas no 4752-57-2 ((4Ar,4bS,7S,10aR)-3-hydroxy-7-(2-hydroxyacetyl)-1,1,4a,7-tetramethyl-4b,5,6,8,10,10a-hexahydrophenanthren-2-one)
4752-57-2 structure
Product Name:(4Ar,4bS,7S,10aR)-3-hydroxy-7-(2-hydroxyacetyl)-1,1,4a,7-tetramethyl-4b,5,6,8,10,10a-hexahydrophenanthren-2-one
CAS No:4752-57-2
MF:C20H28O4
MW:332.433926582336
CID:2666924
Update Time:2024-02-29
(4Ar,4bS,7S,10aR)-3-hydroxy-7-(2-hydroxyacetyl)-1,1,4a,7-tetramethyl-4b,5,6,8,10,10a-hexahydrophenanthren-2-one Chemical and Physical Properties
Names and Identifiers
-
- [13S,(-)]-2,16-Dihydroxypimara-1,7-diene-3,15-dione
- (?)-Araucarenolone
- (4Ar,4bS,7S,10aR)-3-hydroxy-7-(2-hydroxyacetyl)-1,1,4a,7-tetramethyl-4b,5,6,8,10,10a-hexahydrophenan
- (4Ar,4bS,7S,10aR)-3-hydroxy-7-(2-hydroxyacetyl)-1,1,4a,7-tetramethyl-4b,5,6,8,10,10a-hexahydrophenanthren-2-one
-
- Inchi： 1S/C20H28O4/c1-18(2)15-6-5-12-9-19(3,16(23)11-21)8-7-13(12)20(15,4)10-14(22)17(18)24/h5,10,13,15,21-22H,6-9,11H2,1-4H3/t13-,15-,19-,20+/m0/s1
- InChI Key： VDZVMQISEBKCRP-OASIQESESA-N
- SMILES： OC1C(C(C)(C)[C@@H]2CC=C3C[C@](C(CO)=O)(C)CC[C@@H]3[C@@]2(C)C=1)=O
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 24
- Rotatable Bond Count: 2
- Complexity: 657
- Topological Polar Surface Area: 74.6
(4Ar,4bS,7S,10aR)-3-hydroxy-7-(2-hydroxyacetyl)-1,1,4a,7-tetramethyl-4b,5,6,8,10,10a-hexahydrophenanthren-2-one Related Literature
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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2. 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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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
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
4752-57-2 ((4Ar,4bS,7S,10aR)-3-hydroxy-7-(2-hydroxyacetyl)-1,1,4a,7-tetramethyl-4b,5,6,8,10,10a-hexahydrophenanthren-2-one) Related Products
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