Compound Identification
SMILES
COC1=CC2=C(C=C1)[C@H]1CC[C@@]3(C)[C@@H](C[C@@H]4[C@H]3NC3=C4C=C(C=C3)C(C)C)[C@H]1CC2
InChIKey
InChIKey=RNXSOIIOZNEJBC-CNCQOOCJSA-N
Formula
C28H35NO
Mass
401.594
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 2,3-Cyclopentanoindolines Tetralins Cumenes Anisoles Secondary alkylarylamines Aralkylamines Alkyl aryl ethers Azacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Steroid - Phenanthrene - 2,3-cyclopentanoindoline - Tetralin - Cumene - Indole or derivatives - Dihydroindole - Anisole - Phenol ether - Alkyl aryl ether - Aralkylamine - Secondary aliphatic/aromatic amine - Benzenoid - Organoheterocyclic compound - Azacycle - Ether - Secondary amine - Amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen 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