Helenin
Properties
- Molecular formula
- C15H20O2
- Molar mass
- 232.32 g/mol
- Exact mass
- 232.1463 Da
- Melting point
- 76 °C
- Boiling point
- 275 °C
- logP
- 3.24Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 0
- Stereocentres
- R, R, S, Rin SMILES atom order
Identifiers
CAS number
546-43-0SMILES
C=C1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)C3=C[C@H]12InChIKey
PXOYOCNNSUAQNS-AGNJHWRGSA-NInChI
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/t9-,11+,13+,15+/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
12 names
- Naphtho[2,3-b]furan-2(3H)-one, 3a,5,6,7,8,8a,9,9a-octahydro-5,8a-dimethyl-3-methylene-, (3aR,5S,8aR,9aR)-
- Alantolactone
- 4αH-Eudesma-5,11(13)-dien-12-oic acid, 8β-hydroxy-, γ-lactone
- Naphtho[2,3-b]furan-2(3H)-one, 3a,5,6,7,8,8a,9,9a-octahydro-5,8a-dimethyl-3-methylene-, [3aR-(3aα,5β,8aβ,9aα)]-
- (3aR,5S,8aR,9aR)-3a,5,6,7,8,8a,9,9a-Octahydro-5,8a-dimethyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
- Alant camphor
- Elecampane camphor
- Eupatal
- Inula camphor
- (+)-Alantolactone
- NSC 93131
- NSC 333843
Work with Helenin
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
(-)-Xanthatin26791-73-133 % similar
2,2,6-Trimethylcyclohexanone2408-37-931 % similar
Parthenolide20554-84-131 % similar
Arglabin84692-91-131 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds