Cas no 73171-25-2 ((4aR,5S,8aR,9aR)-9a-hydroxy-3,4a,5-trimethyl-4a,5,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(4H)-one)
![(4aR,5S,8aR,9aR)-9a-hydroxy-3,4a,5-trimethyl-4a,5,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(4H)-one structure](https://ossimg.kuujia.com/scimg/73500/73171-25-2x500.png)
73171-25-2 structure
Product Name:(4aR,5S,8aR,9aR)-9a-hydroxy-3,4a,5-trimethyl-4a,5,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(4H)-one
CAS No:73171-25-2
MF:C15H22O3
MW:250.333384990692
CID:1765124
PubChem ID:155961
Update Time:2025-04-21
(4aR,5S,8aR,9aR)-9a-hydroxy-3,4a,5-trimethyl-4a,5,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(4H)-one Chemical and Physical Properties
Names and Identifiers
-
- (4aR,5S,8aR,9aR)-9a-hydroxy-3,4a,5-trimethyl-4a,5,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(4H)-one
- Naphtho(2,3-b)furan-2(4H)-one, 4a,5,6,7,8,8a,9,9a-octahydro-9a-hydroxy-3,4a,5-trimethyl-, (4aR,5S,8aR,9aR)-
- (4aR,5S,8aR,9aR)-9a-hydroxy-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-2-one
- 73171-25-2
- DTXSID80993901
- 9a-Hydroxy-3,4a,5-trimethyl-4a,5,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(4H)-one
- 8beta-Hydroxyeremophilenolide
-
- Inchi： 1S/C15H22O3/c1-9-5-4-6-11-7-15(17)12(8-14(9,11)3)10(2)13(16)18-15/h9,11,17H,4-8H2,1-3H3/t9-,11+,14+,15+/m0/s1
- InChI Key： QKYLNUXCPSRUNA-FOOGCRFISA-N
- SMILES： O1C(C(C)=C2[C@]1(C[C@H]1CCC[C@H](C)[C@@]1(C)C2)O)=O
Computed Properties
- Exact Mass: 250.15689456g/mol
- Monoisotopic Mass: 250.15689456g/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: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.9
- Topological Polar Surface Area: 46.5?2
(4aR,5S,8aR,9aR)-9a-hydroxy-3,4a,5-trimethyl-4a,5,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(4H)-one Related Literature
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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