Cas no 5956-09-2 (Aihydroagarofuran)
Aihydroagarofuran structure
Product Name:Aihydroagarofuran
CAS No:5956-09-2
MF:C15H26O
MW:222.366344928741
CID:1998772
PubChem ID:21593552
Update Time:2025-04-21
Aihydroagarofuran Chemical and Physical Properties
Names and Identifiers
-
- Aihydroagarofuran
- Dihydro-alpha-beta-agarofuran
- Dihydro-beta-Agarofuran
- dihydroagarofuran
- Q27139701
- 5956-09-2
- (3R,5aS,9R,9aS)-2,2,5a,9-tetramethyloctahydro-2H-3,9a-methano-1-benzoxepine
- beta-Agarofuran, dihydro-
- trans-Dihydroagarofuran
- Octahydro-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin
- 2H-3,9a-Methano-1-benzoxepin, octahydro-2,2,5a,9-tetramethyl-
- CHEBI:71547
- SCHEMBL2400604
- Deoxybaimuxinol
- (1S,2R,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecane
- [3R-(3alpha,5aalpha,9alpha,9aalpha)]-Octahydro-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin
-
- Inchi： 1S/C15H26O/c1-11-6-5-8-14(4)9-7-12-10-15(11,14)16-13(12,2)3/h11-12H,5-10H2,1-4H3/t11-,12-,14+,15+/m1/s1
- InChI Key： HVAVUZLEYSAYGE-UXOAXIEHSA-N
- SMILES： O1C(C)(C)[C@@H]2CC[C@]3(C)CCC[C@@H](C)[C@]13C2
Computed Properties
- Exact Mass: 222.198365449g/mol
- Monoisotopic Mass: 222.198365449g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 0
- Complexity: 309
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.9
- Topological Polar Surface Area: 9.2?2
Aihydroagarofuran Related Literature
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
-
David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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