Atractylon
Properties
- Molecular formula
- C15H20O
- Molar mass
- 216.32 g/mol
- Exact mass
- 216.1514 Da
- Melting point
- 61–63 °C
- logP
- 4.05Crippen estimate
- Polar surface area
- 13.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
- Stereocentres
- R, Sin SMILES atom order
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library
Identifiers
CAS number
6989-21-5SMILES
C=C1CCC[C@]2(C)Cc3occ(C)c3C[C@@H]12InChIKey
TYPSVDGIQAOBAD-DZGCQCFKSA-NInChI
InChI=1S/C15H20O/c1-10-5-4-6-15(3)8-14-12(7-13(10)15)11(2)9-16-14/h9,13H,1,4-8H2,2-3H3/t13-,15+/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- Naphtho[2,3-b]furan, 4,4a,5,6,7,8,8a,9-octahydro-3,8a-dimethyl-5-methylene-, (4aS,8aR)-
- Naphtho[2,3-b]furan, 4,4aα,5,6,7,8,8a,9-octahydro-3,8aβ-dimethyl-5-methylene-
- Naphtho[2,3-b]furan, 4,4a,5,6,7,8,8a,9-octahydro-3,8a-dimethyl-5-methylene-, (4aS-trans)-
- Atractylone
- (4aS,8aR)-4,4a,5,6,7,8,8a,9-Octahydro-3,8a-dimethyl-5-methylenenaphtho[2,3-b]furan
- Atractyloxide
- Atractylol
Work with Atractylon
Similar compounds
Beta-Eudesmol473-15-438 % similar
Atractylenolide II73069-14-435 % similar
Menthofuran494-90-634 % similar
Lindenenol26146-27-034 % similar
(+)-Isoalantolactone470-17-733 % similar
Atractylenolide III73030-71-431 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds