Atractylenolide I
Properties
- Molecular formula
- C15H18O2
- Molar mass
- 230.31 g/mol
- Exact mass
- 230.1307 Da
- Melting point
- 121–123 °C
- logP
- 3.51Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 0
Identifiers
CAS number
73069-13-3SMILES
C=C1CCC[C@]2(C)C=C3OC(=O)C(C)=C3C[C@@H]12InChIKey
ZTVSGQPHMUYCRS-SWLSCSKDSA-NInChI
InChI=1S/C15H18O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h8,12H,1,4-7H2,2-3H3/t12-,15+/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- Naphtho[2,3-b]furan-2(4H)-one, 4a,5,6,7,8,8a-hexahydro-3,8a-dimethyl-5-methylene-, (4aS,8aS)-
- Naphtho[2,3-b]furan-2(4H)-one, 4a,5,6,7,8,8a-hexahydro-3,8a-dimethyl-5-methylene-, (4aS-trans)-
- (4aS,8aS)-4a,5,6,7,8,8a-Hexahydro-3,8a-dimethyl-5-methylenenaphtho[2,3-b]furan-2(4H)-one