Cas no 156765-34-3 (Inulasalsolide)
Inulasalsolide structure
Product Name:Inulasalsolide
CAS No:156765-34-3
MF:C15H20O5
MW:280.316305160522
CID:166840
Update Time:2024-03-01
Inulasalsolide Chemical and Physical Properties
Names and Identifiers
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- Oxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one,2,3,6,7,7a,8,10a,10b-octahydro-7-hydroxy-5-(hydroxymethyl)-1a-methyl-8-methylene-,(1aR,4Z,7R,7aR,10aS,10bR)-
- Oxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one,2,3,6,7,7a,8,10a,10b-octahydro-7-hydroxy-5-(hydroxymethyl)-1a-methyl-8-methylen
- (+)-Inulasalsolide
- Inulasalsolide
- Oxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one,2,3,6,7,7a,8,10a,10b-octahydro-7-hydroxy-5-(hydroxymethyl)-1a-methyl-8-methylene-,[1aR-(1aR*,4Z,7R*,7aR*,10aS*,10bR*)]-
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- Inchi： 1S/C15H20O5/c1-8-11-10(17)6-9(7-16)4-3-5-15(2)13(20-15)12(11)19-14(8)18/h4,10-13,16-17H,1,3,5-7H2,2H3/b9-4+/t10-,11-,12+,13+,15+/m1/s1
- InChI Key： HHQXBESKXBXHGC-DHEBOWKDSA-N
- SMILES： O1[C@H]2[C@@H]3[C@H](C(=C)C(=O)O3)[C@@H](CC(CO)=CCC[C@]12C)O |c:14|
Computed Properties
- Exact Mass: 280.131
- Monoisotopic Mass: 280.131
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 20
- Rotatable Bond Count: 1
- Complexity: 483
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 79.3
Inulasalsolide Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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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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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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