Cas no 31136-61-5 (Lyoniol A)
Lyoniol A structure
Product Name:Lyoniol A
Lyoniol A Chemical and Physical Properties
Names and Identifiers
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- Grayanotoxane-5,6,7,10,16-pentol,2,3-epoxy-, 7-acetate, (2b,3b,6b,7a)- (9CI)
- Lyoniol A
- Lyoniatoxin
- Lyoniol-A
- 5,6,10,16-Tetrahydroxy-2,3-epoxygrayanotoxan-7-yl acetate
- [(1R,2S,3R,4R,6R,8S,9S,10R,11R,14R,15R)-3,4,10,15-tetrahydroxy-5,5,10,15-tetramethyl-7-oxapentacyclo[12.2.1.01,11.04,9.06,8]heptadecan-2-yl] acetate
- 7,9a-Methano-9aH-cyclopenta(b)heptalene-4,8,10,11,11a(1H)-pentol, 2,3-epoxydodecahydro-1,1,4,8-tetramethyl-, 11-acetate, (2R,3S,3as,4R,4ar,7R,8R,9ar,10S,11R,11aR)-
- AKOS040752811
- NS00093898
- 31136-61-5
- Grayanotoxane-5,6,7,10,16-pentol, 2,3-epoxy-, 6-acetate, (2-beta,3-beta,6-beta,7-alpha)-
- DTXSID00953229
- BRN 5637282
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- Inchi： 1S/C22H34O7/c1-10(23)28-17-15(24)22(27)14(13-16(29-13)18(22,2)3)20(5,26)12-7-6-11-8-21(12,17)9-19(11,4)25/h11-17,24-27H,6-9H2,1-5H3/t11-,12+,13+,14+,15-,16+,17-,19-,20-,21-,22+/m1/s1
- InChI Key： IONWCZKSTMAXMV-CRRNJOFASA-N
- SMILES： O1[C@@H]2C(C)(C)[C@]3([C@@H]([C@H]([C@]45C[C@](C)([C@H](CC[C@H]4[C@](C)([C@@H]3[C@H]12)O)C5)O)OC(C)=O)O)O
- BRN： 5637282
Computed Properties
- Exact Mass: 410.23045342g/mol
- Monoisotopic Mass: 410.23045342g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 29
- Rotatable Bond Count: 2
- Complexity: 768
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 11
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 120
- XLogP3: 0.3
Experimental Properties
- Density: 1.1288 (rough estimate)
- Melting Point: 251.5°C
- Boiling Point: 450.48°C (rough estimate)
- Refractive Index: 1.5300 (estimate)
Lyoniol A Related Literature
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
-
5. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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