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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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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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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

Cholestenone601-57-072 % similar (3Alpha)-3-chloro-cholest-4-ene13901-10-564 % similar Cholesterol57-88-555 % similar Cholesteryl bromide516-91-653 % similar Cholesteryl chloride910-31-653 % similar Ester4351-55-751 % similar 3-Oxopregn-4-ene-20-carboxaldehyde24254-01-149 % similar (2S)-2-((8S,9S,10R,13S,14S,17R)-10,13-Dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta(a)phenanthren-17-yl)propanal3986-89-849 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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