chempirical

Atractylenolide ii

C15H20O2CAS 73069-14-4232.32 g/mol

Open in Covalent MOL file
OO
AlkeneEsterLactone

Properties

Molecular formula
C15H20O2
Molar mass
232.32 g/mol
Exact mass
232.1463 Da
Melting point
150–152 °C
logP
3.38Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0
Stereocentres
R, S, Sin SMILES atom order

Identifiers

CAS number
73069-14-4
SMILES
C=C1CCC[C@]2(C)C[C@@H]3OC(=O)C(C)=C3C[C@@H]12
InChIKey
OQYBLUDOOFOBPO-KCQAQPDRSA-N
InChI
InChI=1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h12-13H,1,4-8H2,2-3H3/t12-,13-,15+/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • Naphtho[2,3-b]furan-2(4H)-one, 4a,5,6,7,8,8a,9,9a-octahydro-3,8a-dimethyl-5-methylene-, (4aS,8aR,9aS)-
  • Naphtho[2,3-b]furan-2(4H)-one, 4a,5,6,7,8,8a,9,9a-octahydro-3,8a-dimethyl-5-methylene-, [4aS-(4aα,8aβ,9aβ)]-
  • (4aS,8aR,9aS)-4a,5,6,7,8,8a,9,9a-Octahydro-3,8a-dimethyl-5-methylenenaphtho[2,3-b]furan-2(4H)-one
  • Asterolide
  • Eudesma-4(15),7(11)-dien-8α,12-olide

Work with Atractylenolide ii

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Atractylenolide iii73030-71-453 % similar Atractylenolide I73069-13-344 % similar Beta-eudesmol473-15-436 % similar Atractylon6989-21-535 % similar Methyl-γ-ionone7388-22-931 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(+)-Isoalantolactone470-17-7 Helenin546-43-0 Costunolide553-21-9 4-(trans-4-Ethylcyclohexyl)benzoic acid87592-41-4

Elsewhere

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