Cas no 89915-48-0 ((2S,4S,11R)-Illifunone)
(2S,4S,11R)-Illifunone structure
Product Name:(2S,4S,11R)-Illifunone
CAS No:89915-48-0
MF:C14H20O4
MW:252.306204795837
CID:2067367
PubChem ID:44481193
Update Time:2025-04-21
(2S,4S,11R)-Illifunone Chemical and Physical Properties
Names and Identifiers
-
- (2S,4S,11R)-Illifunone
- 2S,4S,11R-(+)-illifunone-D
- illifunone D
- 89915-48-0
- CHEMBL562126
- (2R,3aS,5S)-3a-hydroxy-2-(2-hydroxypropan-2-yl)-5-prop-2-enyl-2,3,4,5-tetrahydro-1-benzofuran-6-one
-
- Inchi： 1S/C14H20O4/c1-4-5-9-7-14(17)8-12(13(2,3)16)18-11(14)6-10(9)15/h4,6,9,12,16-17H,1,5,7-8H2,2-3H3
- InChI Key： WTNZYSLGDGRFTH-UHFFFAOYSA-N
- SMILES： CC(C1OC2C(CC(C(C=2)=O)CC=C)(O)C1)(O)C
Computed Properties
- Exact Mass: 252.13615911Da
- Monoisotopic Mass: 252.13615911Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 410
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.6
- Topological Polar Surface Area: 66.8?2
(2S,4S,11R)-Illifunone Related Literature
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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