Compound Identification
SMILES
COCCOC1=C(OC(N)=O)C=C2[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]44CCC(C)(C)C(=O)O4)[C@@H]3CCC2=C1
InChIKey
InChIKey=MSJRJLMALIAVGV-ROJWSESWSA-N
Formula
C28H39NO6
Mass
485.621
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 Phenol ethers Delta valerolactones Alkyl aryl ethers Oxanes Carbamate esters Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Steroid - Phenanthrene - Tetralin - Phenol ether - Alkyl aryl ether - Delta valerolactone - Delta_valerolactone - Oxane - Benzenoid - Carbamic acid ester - Carboxylic acid ester - Lactone - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Dialkyl ether - Monocarboxylic acid or derivatives - Ether - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - 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