Cas no 63109-30-8 ((3aR,4aR,5R,7aS,9aS)-5-hydroxy-5-methyl-3,8-dimethylidenedecahydroazuleno[6,5-b]furan-2(3H)-one)
![(3aR,4aR,5R,7aS,9aS)-5-hydroxy-5-methyl-3,8-dimethylidenedecahydroazuleno[6,5-b]furan-2(3H)-one structure](https://ossimg.kuujia.com/scimg/63500/63109-30-8x500.png)
63109-30-8 structure
Product Name:(3aR,4aR,5R,7aS,9aS)-5-hydroxy-5-methyl-3,8-dimethylidenedecahydroazuleno[6,5-b]furan-2(3H)-one
CAS No:63109-30-8
MF:C15H20O3
MW:248.317504882813
CID:1645636
PubChem ID:176489
Update Time:2025-04-21
(3aR,4aR,5R,7aS,9aS)-5-hydroxy-5-methyl-3,8-dimethylidenedecahydroazuleno[6,5-b]furan-2(3H)-one Chemical and Physical Properties
Names and Identifiers
-
- (3aR,4aR,5R,7aS,9aS)-5-hydroxy-5-methyl-3,8-dimethylidenedecahydroazuleno[6,5-b]furan-2(3H)-one
- (3aS,5aS,8R,8aR,9aR)-8-hydroxy-8-methyl-1,5-dimethylidene-3a,4,5a,6,7,8a,9,9a-octahydroazuleno[6,5-b]furan-2-one
- INUVISCOLIDE
- HY-N11110
- CHEMBL521960
- CS-0638972
- Q27137686
- 63109-30-8
- SCHEMBL12476693
- CHEBI:69345
- 5-Hydroxy-5-methyl-3,8-dimethylidenedecahydroazuleno[6,5-b]furan-2(3H)-one
- DTXSID80979063
- 4,8-Dipiinuviscolide
- 8-epiinuviscolide
- 1-EpiInuviscolide
- 8-Epiinuvisolide
- DA-74504
-
- Inchi： 1S/C15H20O3/c1-8-6-13-11(9(2)14(16)18-13)7-12-10(8)4-5-15(12,3)17/h10-13,17H,1-2,4-7H2,3H3/t10-,11-,12-,13+,15-/m1/s1
- InChI Key： GTYUWNQOOLJZBM-XLFUENPSSA-N
- SMILES： O[C@]1(C)CC[C@@H]2C(=C)C[C@H]3[C@@H](C(=C)C(=O)O3)C[C@H]21
Computed Properties
- Exact Mass: 248.1413
- Monoisotopic Mass: 248.14124450g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 0
- Complexity: 439
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.8
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53
(3aR,4aR,5R,7aS,9aS)-5-hydroxy-5-methyl-3,8-dimethylidenedecahydroazuleno[6,5-b]furan-2(3H)-one Related Literature
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Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
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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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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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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
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Pavel Karásek,Jakub Grym,Michal Roth,Josef Planeta,Franti?ek Foret Lab Chip, 2015,15, 311-318
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