Compound Identification
SMILES
COCO[C@H]1CC[C@]2(C)[C@@H]3CCC4(COC4)C[C@H]3C=C[C@H]2[C@@H]1C(=O)OC
InChIKey
InChIKey=USGOMEMVTLXCOY-NQKDJWEYSA-N
Formula
C21H32O5
Mass
364.482
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 Methyl esters Oxetanes Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Acetals Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Steroid - Phenanthrene - Methyl ester - Carboxylic acid ester - Oxetane - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Acetal - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Carbonyl group - 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