Cas no 72601-38-8 ((7aS,8S)-8-hydroxy-6,6,8-trimethyl-5,6,7,7a,8,9-hexahydroazuleno[5,6-c]furan-3(1H)-one)
![(7aS,8S)-8-hydroxy-6,6,8-trimethyl-5,6,7,7a,8,9-hexahydroazuleno[5,6-c]furan-3(1H)-one structure](https://ossimg.kuujia.com/scimg/73000/72601-38-8x500.png)
72601-38-8 structure
Product Name:(7aS,8S)-8-hydroxy-6,6,8-trimethyl-5,6,7,7a,8,9-hexahydroazuleno[5,6-c]furan-3(1H)-one
CAS No:72601-38-8
MF:C15H20O3
MW:248.317504882813
CID:1756425
PubChem ID:155912
Update Time:2025-04-21
(7aS,8S)-8-hydroxy-6,6,8-trimethyl-5,6,7,7a,8,9-hexahydroazuleno[5,6-c]furan-3(1H)-one Chemical and Physical Properties
Names and Identifiers
-
- (7aS,8S)-8-hydroxy-6,6,8-trimethyl-5,6,7,7a,8,9-hexahydroazuleno[5,6-c]furan-3(1H)-one
- Azuleno(5,6-c)furan-3(1H)-one, 5,6,7,7a,8,9-hexahydro-8-hydroxy-6,6,8-trimethyl-, (7aS,8S)-
- (5S,5aS)-5-hydroxy-5,7,7-trimethyl-4,5a,6,8-tetrahydro-3H-azuleno[5,6-c]furan-1-one
- (7aS,8S)-5,6,7,7a,8,9-Hexahydro-8-hydroxy-6,6,8-trimethylazuleno[5,6-c]furan-3(1H)-one
- 72601-38-8
- DTXSID30222930
- DTXCID60145421
- (5S,5aS)-5-hydroxy-5,7,7-trimethyl-4,5a,6,8-tetrahydro-3H-azuleno(5,6-c)furan-1-one
-
- Inchi： 1S/C15H20O3/c1-14(2)5-9-4-11-10(8-18-13(11)16)6-15(3,17)12(9)7-14/h4,12,17H,5-8H2,1-3H3/t12-,15-/m0/s1
- InChI Key： UAGRYLZLTBLSDQ-WFASDCNBSA-N
- SMILES： O[C@@]1(C)CC2COC(C=2C=C2CC(C)(C)C[C@H]12)=O
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: 484
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.4
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53
(7aS,8S)-8-hydroxy-6,6,8-trimethyl-5,6,7,7a,8,9-hexahydroazuleno[5,6-c]furan-3(1H)-one Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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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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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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