Met001704: 21-Deoxycortisol
Metabolite Information
Name
21-Deoxycortisol
IUPAC Name
(8S,9S,10R,11S,13S,14S,17R)-17-acetyl-11,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Molecular Formula
C21H30O4
Molecular Weight
346.5
Exact Mass
346.2144094
SMILES
CC(=O)C1(CCC2C1(CC(C3C2CCC4=CC(=O)CCC34C)O)C)O
InChIKey
LCZBQMKVFQNSJR-UJPCIWJBSA-N
InChI
InChI=1S/C21H30O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h10,15-18,24-25H,4-9,11H2,1-3H3/t15-,16-,17-,18+,19-,20-,21-/m0/s1
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Lipids and lipid-like molecules
Class:
Steroids and steroid derivatives
Subclass:
Pregnane steroids
Crops containing this metabolite
ginger
Metabolite Spectrum Accession Label