Cas no 80367-94-8 ( )
structure
Product Name:
CAS No:80367-94-8
MF:C15H20O2
MW:232.318104743958
CID:985524
PubChem ID:327378
Update Time:2025-04-20
Chemical and Physical Properties
Names and Identifiers
-
- alantolactone
- 1407-14-3
- Helenine?
- NSC302289
- SR-01000314259-1
- AKOS000635321
- SCHEMBL15944429
- NSC-302289
- BAS 00674051
- LS-14417
- EINECS 215-803-3
- DTXSID20871754
- 5,8a-dimethyl-3-methylidene-5,6,7,8,9,9a-hexahydro-3aH-benzo[][1]benzouran-2-one
- (+)-Alantolactone
- CHEBI:177830
- Alantic anhydride
- 5,8a-Dimethyl-3-methylidene-3a,5,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(3H)-one
- BOHLMANN K2631
- FT-0653947
- A830281
- Putative_Alantolactone
- PXOYOCNNSUAQNS-UHFFFAOYSA-N
- NS00043300
- 80367-94-8
- NCI60_002544
- 5,8a-dimethyl-3-methylene-5,6,7,8,9,9a-hexahydro-3aH-benzo[f]benzofuran-2-one
- (3aR,5S,8aR,9aR)-5,8a-Dimethyl-3-methylidene-5,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzoxol-2-one
- SR-01000314259
- CHEMBL8831
- 5,8a-dimethyl-3-methylidene-5,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one
- Alantolacetone
- SR-01000314259-2
-
-
- Inchi： 1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h7,9,11,13H,2,4-6,8H2,1,3H3
- InChI Key： PXOYOCNNSUAQNS-UHFFFAOYSA-N
- SMILES： O1C(C(=C)C2C=C3C(C)CCCC3(C)CC12)=O
Computed Properties
- Exact Mass: 232.146329876g/mol
- Monoisotopic Mass: 232.146329876g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 0
- Complexity: 421
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.7
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- LogP: 3.38
Related Literature
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
-
Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
-
Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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