Compound Identification
SMILES
CCN1[C@@H]2CC3=CN(C4=CC=CC(=C34)[C@]2(OCC1=O)C=C)S(=O)(=O)C1=C(C=C(C=C1C(C)C)C(C)C)C(C)C
InChIKey
InChIKey=XDHQTTYZUKRGIQ-AKGWNBJDSA-N
Formula
C32H40N2O4S
Mass
548.74
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
Oxaergolines 3-alkylindoles Benzenesulfonamides Phenylpropanes Benzenesulfonyl compounds Cumenes Isoindoles and derivatives Substituted pyrroles Morpholines Tertiary carboxylic acid amides Sulfonyls Organosulfonic acids and derivatives Heteroaromatic compounds Lactams Dialkyl ethers Oxacyclic compounds Azacyclic compounds Carbonyl compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Steroid - Oxaergoline skeleton - Benzenesulfonamide - 3-alkylindole - Cumene - Indole - Indole or derivatives - Isoindole or derivatives - Phenylpropane - Benzenesulfonyl group - Alkaloid or derivatives - Monocyclic benzene moiety - Morpholine - Benzenoid - Oxazinane - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Dialkyl ether - Carboxylic acid derivative - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - 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