Carabron

C15H20O3CAS 1748-81-8248.32 g/mol

Open in Covalent MOL file
OOO
AlkeneEsterKetoneLactone

Properties

Molecular formula
C15H20O3
Molar mass
248.32 g/mol
Exact mass
248.1412 Da
logP
2.50Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3
Stereocentres
S, S, R, R, Rin 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
1748-81-8
SMILES
CC(=O)CC[C@H]1[C@H]2[C@@]1(C[C@@H]3[C@H](C2)C(=C)C(=O)O3)C
InChIKey
AGIQIKMGJVLKMA-NLRWUALESA-N
InChI
InChI=1S/C15H20O3/c1-8(16)4-5-11-12-6-10-9(2)14(17)18-13(10)7-15(11,12)3/h10-13H,2,4-7H2,1,3H3/t10-,11+,12+,13-,15-/m1/s1

Weigh it out

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

Names and synonyms

1 names
  • Carabrone

Work with Carabron

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

(+)-Isoalantolactone470-17-746 % similar (-)-Xanthatin26791-73-133 % similar Costunolide553-21-933 % similar Helenin546-43-033 % similar (-)-Dehydrocostus lactone477-43-033 % similar Arglabin84692-91-132 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl 3-(4-tert-butylphenyl)-3-oxopropanoate101498-88-8 Methyl α-cyclohexyl-α-hydroxybenzeneacetate10399-13-0 Parthenolide20554-84-1 Amiloxate71617-10-2 Atractylenolide III73030-71-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook