Compound Identification
SMILES
C[C@@]1(CC[C@H]2[C@@H](CC[C@]34O[C@H]3C(=O)CC[C@]24C)C1CC#N)C1OCCO1
InChIKey
InChIKey=PFIWKFYRQFQHSH-SATBBMOKSA-N
Formula
C21H29NO4
Mass
359.466
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
Oxepanes 1,3-dioxolanes Ketones Oxacyclic compounds Nitriles Epoxides Dialkyl ethers Acetals Organopnictogen compounds Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Steroid - Oxepane - Meta-dioxolane - Ketone - Acetal - Dialkyl ether - Oxirane - Ether - Carbonitrile - Nitrile - Organoheterocyclic compound - Oxacycle - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Cyanide - Aldehyde - Hydrocarbon derivative - Organic oxide - Aliphatic 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