chempirical

Nardosinone

C15H22O3CAS 23720-80-1250.34 g/mol

Open in Covalent MOL file
OOO
AlkeneKetonePeroxide

Properties

Molecular formula
C15H22O3
Molar mass
250.34 g/mol
Exact mass
250.1569 Da
Melting point
108–110 °C
logP
3.05Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0
Stereocentres
R, R, S, Rin SMILES atom order

Identifiers

CAS number
23720-80-1
SMILES
C[C@@H]1CCC=C2C(=O)C[C@H]3OOC(C)(C)[C@H]3[C@]21C
InChIKey
KXGHHSIMRWPVQM-JWFUOXDNSA-N
InChI
InChI=1S/C15H22O3/c1-9-6-5-7-10-11(16)8-12-13(15(9,10)4)14(2,3)18-17-12/h7,9,12-13H,5-6,8H2,1-4H3/t9-,12-,13+,15+/m1/s1

Weigh it out

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

Names and synonyms

4 names
  • 5H-Naphtho[2,1-c][1,2]dioxol-5-one, 1,3a,4,7,8,9,9a,9b-octahydro-1,1,9,9a-tetramethyl-, (3aR,9R,9aR,9bS)-
  • 5H-Naphtho[2,1-c][1,2]dioxol-5-one, 1,3a,4,7,8,9,9a,9b-octahydro-1,1,9,9a-tetramethyl-, [3aR-(3aα,9α,9aα,9bα)]-
  • (3aR,9R,9aR,9bS)-1,3a,4,7,8,9,9a,9b-Octahydro-1,1,9,9a-tetramethyl-5H-naphtho[2,1-c][1,2]dioxol-5-one
  • Nardosinon

Work with Nardosinone

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

Same formula

2-Ethylhexyl salicylate118-60-5 Octyl P-hydroxybenzoate1219-38-1 3,5-Di-tert-butyl-4-hydroxybenzoic acid1421-49-4 3,5-Bis(1,1-dimethylethyl)-2-hydroxybenzoic acid19715-19-6 Octyloxybenzoic acid2493-84-7 Gemfibrozil25812-30-0 2-Ethylhexyl 4-hydroxybenzoate5153-25-3 N-Octyl salicylate6969-49-9

Elsewhere

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