Cas no 29395-64-0 ((4aR)-4a,5,6,7,8,8aα,9,9aα-Octahydro-3,4aβ,5β-trimethylnaphtho[2,3-b]furan-2(4H)-one)
![(4aR)-4a,5,6,7,8,8aα,9,9aα-Octahydro-3,4aβ,5β-trimethylnaphtho[2,3-b]furan-2(4H)-one structure](https://ossimg.kuujia.com/scimg/29500/29395-64-0x500.png)
29395-64-0 structure
Product Name:(4aR)-4a,5,6,7,8,8aα,9,9aα-Octahydro-3,4aβ,5β-trimethylnaphtho[2,3-b]furan-2(4H)-one
CAS No:29395-64-0
MF:C15H22O2
MW:234.333984851837
CID:285449
Update Time:2024-02-29
(4aR)-4a,5,6,7,8,8aα,9,9aα-Octahydro-3,4aβ,5β-trimethylnaphtho[2,3-b]furan-2(4H)-one Chemical and Physical Properties
Names and Identifiers
-
- Naphtho[2,3-b]furan-2(4H)-one,4a,5,6,7,8,8a,9,9a-octahydro-3,4a,5-trimethyl-, (4aR,5S,8aS,9aR)-
- (4aR)-4a,5,6,7,8,8aα,9,9aα-Octahydro-3,4aβ,5β-trimethylnaphtho[2,3-b]furan-2(4H)-one
- 10a-Eremophil-7(11)-en-12-oic acid,8-hydroxy-, g-lactone,(-)- (8CI)
- Ligularenolide, tetrahydro-
- Naphtho[2,3-b]furan-2(4H)-one,4a,5,6,7,8,8a,9,9a-octahydro-3,4a,5-trimethyl-, [4aR-(4aa,5a,8ab,9ab)]-
- Tetrahydroligularenolide
- CID 101288292
- Eremophylenolide
- Eremophilenolide
-
- Inchi： 1S/C15H22O2/c1-9-5-4-6-11-7-13-12(8-15(9,11)3)10(2)14(16)17-13/h9,11,13H,4-8H2,1-3H3/t9-,11-,13+,15+/m0/s1
- InChI Key： AEQDXSFIHGWHDV-SQWGHXPGSA-N
- SMILES： O1C(C(C)=C2[C@H]1C[C@@H]1CCC[C@H](C)[C@@]1(C)C2)=O
Computed Properties
- Exact Mass: 234.162
- Monoisotopic Mass: 234.162
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 0
- Complexity: 396
- 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
- Topological Polar Surface Area: 26.3
- XLogP3: 4.276
(4aR)-4a,5,6,7,8,8aα,9,9aα-Octahydro-3,4aβ,5β-trimethylnaphtho[2,3-b]furan-2(4H)-one Related Literature
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
-
Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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