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CHEBI:79524 - 3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde

ChEBI IDCHEBI:79524
ChEBI Name3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde
Stars
Last Modified17 March 2016
DownloadsMolfile
FormulaC22H32O3
Net Charge0
Average Mass344.495
Monoisotopic Mass344.23514
SMILES[H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)C=C(C=O)C[C@@]34[H])[C@@]1(C)CC[C@H](OC(C)=O)C2
InChIInChI=1S/C22H32O3/c1-14(24)25-17-6-9-22(3)16(11-17)4-5-18-19(22)7-8-21(2)12-15(13-23)10-20(18)21/h12-13,16-20H,4-11H2,1-3H3/t16-,17-,18+,19-,20-,21+,22-/m0/s1
InChIKeyIZJWIBVOSGOTPV-MZLYOWLHSA-N
ChEBI Ontology
Outgoing Relation(s)
3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde (CHEBI:79524) is a steroid aldehyde (CHEBI:131565)
3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde (CHEBI:79524) is a steroid ester (CHEBI:47880)
Manual XrefsDatabases
C15001KEGG COMPOUND