chempirical

Olesoxime

C27H45NOCAS 22033-87-0399.66 g/mol

Open in Covalent MOL file
NOH
AlkeneOxime

Properties

Molecular formula
C27H45NO
Molar mass
399.66 g/mol
Exact mass
399.3501 Da
Melting point
145–148 °C
logP
7.86Crippen estimate
Polar surface area
32.6 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
5
Stereocentres
R, R, S, S, R, S, Rin SMILES atom order

Identifiers

CAS number
22033-87-0
SMILES
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=NO)CC[C@]4(C)[C@H]3CC[C@]12C
InChIKey
QNTASHOAVRSLMD-GYKMGIIDSA-N
InChI
InChI=1S/C27H45NO/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28-29)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25,29H,6-16H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m1/s1

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

Names and synonyms

3 names
  • Cholest-4-en-3-one, oxime
  • NSC 21311
  • TRO 19622

Work with Olesoxime

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

Cholesterol57-88-555 % similar Cholesteryl bromide516-91-653 % similar Cholesteryl chloride910-31-653 % similar Cholesteryl formate4351-55-751 % similar 3-Oxopregn-4-ene-20-carboxaldehyde24254-01-149 % similar Epitestosterone481-30-149 % similar Testosterone58-22-049 % similar Cholesteryl caproate1062-96-049 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook