Cas no 160669-31-8 (2(5H)-Furanone,4-[2-[(4S,4aS,7S,8aS)-3,4,4a,5,6,7,8,8a-octahydro-4,7-dihydroxy-2-(hydroxymethyl)-5,5,8a-trimethyl-1-naphthalenyl]ethyl]-)
![2(5H)-Furanone,4-[2-[(4S,4aS,7S,8aS)-3,4,4a,5,6,7,8,8a-octahydro-4,7-dihydroxy-2-(hydroxymethyl)-5,5,8a-trimethyl-1-naphthalenyl]ethyl]- structure](https://ossimg.kuujia.com/scimg/161000/160669-31-8x500.png)
160669-31-8 structure
Product Name:2(5H)-Furanone,4-[2-[(4S,4aS,7S,8aS)-3,4,4a,5,6,7,8,8a-octahydro-4,7-dihydroxy-2-(hydroxymethyl)-5,5,8a-trimethyl-1-naphthalenyl]ethyl]-
CAS No:160669-31-8
MF:C20H30O5
MW:350.449206829071
CID:149583
Update Time:2024-03-05
2(5H)-Furanone,4-[2-[(4S,4aS,7S,8aS)-3,4,4a,5,6,7,8,8a-octahydro-4,7-dihydroxy-2-(hydroxymethyl)-5,5,8a-trimethyl-1-naphthalenyl]ethyl]- Chemical and Physical Properties
Names and Identifiers
-
- 2(5H)-Furanone,4-[2-[(4S,4aS,7S,8aS)-3,4,4a,5,6,7,8,8a-octahydro-4,7-dihydroxy-2-(hydroxymethyl)-5,5,8a-trimethyl-1-naphthalenyl]ethyl]-
- 2(5H)-Furanone,4-[2-[3,4,4a,5,6,7,8,8a-octahydro-4,7-dihydroxy-2-(hydroxymethyl)-5,5,8a-trimethyl-1-naphthalenyl]ethyl]-,[4S-(4a,4aa,7a,8ab)]-
- Amoenolide B
- 2α,6α,16,17-Tetrahydroxylabda-8,13-dien-15-oic acid γ-lactone
- 4-{2-[(4S,4aS,7S,8aS)-4,7-dihydroxy-2-(hydroxymethyl)-5,5,8a-trimethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]ethyl}-2,5-dihydrofuran-2-one
-
- Inchi： 1S/C20H30O5/c1-19(2)8-14(22)9-20(3)15(5-4-12-6-17(24)25-11-12)13(10-21)7-16(23)18(19)20/h6,14,16,18,21-23H,4-5,7-11H2,1-3H3
- InChI Key： AFDSRXAFGCVZJA-UHFFFAOYSA-N
- SMILES： CC1(C2C(CC(=C(C2(C)CC(O)C1)CCC1COC(=O)C=1)CO)O)C
Computed Properties
- Exact Mass: 350.2094
- Monoisotopic Mass: 350.209
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 25
- Rotatable Bond Count: 4
- Complexity: 618
- 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: 87A^2
Experimental Properties
- PSA: 86.99
2(5H)-Furanone,4-[2-[(4S,4aS,7S,8aS)-3,4,4a,5,6,7,8,8a-octahydro-4,7-dihydroxy-2-(hydroxymethyl)-5,5,8a-trimethyl-1-naphthalenyl]ethyl]- Related Literature
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
-
Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
-
Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
160669-31-8 (2(5H)-Furanone,4-[2-[(4S,4aS,7S,8aS)-3,4,4a,5,6,7,8,8a-octahydro-4,7-dihydroxy-2-(hydroxymethyl)-5,5,8a-trimethyl-1-naphthalenyl]ethyl]-) Related Products
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