Compound Identification
SMILES
COC1=CC2=C(C=C1)[C@H]1CC[C@@]3(C)[C@@H](C[C@@H]4[C@H]3ON=C4C3=CC=C(C=C3)[N+]([O-])=O)[C@@H]1CC2
InChIKey
InChIKey=BHELGLKJJVROFI-IXQLFXCPSA-N
Formula
C26H28N2O4
Mass
432.52
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Steroids and steroid derivatives
Alternative Parents
Phenanthrenes and derivatives Tetralins Nitrobenzenes Nitroaromatic compounds Anisoles Alkyl aryl ethers Isoxazolines Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Steroid - Phenanthrene - Tetralin - Nitrobenzene - Nitroaromatic compound - Anisole - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Isoxazoline - Organic nitro compound - C-nitro compound - Azacycle - Organoheterocyclic compound - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Oxacycle - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as steroids and steroid derivatives. These are compounds based on the cyclopenta[a]phenanthrene carbon skeleton, partially or completely hydrogenated; there are usually methyl groups at C-10 and C-13, and often an alkyl group at C-17. By extension, one or more bond scissions, ring expansions and/or ring contractions of the skeleton may have occurred.
External Descriptors
Not available