Compound Identification
SMILES
COC1=CC2=C(C=C1)C1[C@H](C[C@]3(C)[C@H](CC[C@H]3[C@]1(C)CC2)O[C@@H]1CCCCO1)C1=CC=C(OCCCCCCl)C=C1
InChIKey
InChIKey=JTULVPZHWYZATQ-DXEDCKFFSA-N
Formula
C36H49ClO4
Mass
581.23
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 Phenoxy compounds Anisoles Alkyl aryl ethers Oxanes Oxacyclic compounds Acetals Organochlorides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Steroid - Phenanthrene - Tetralin - Phenoxy compound - Anisole - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Oxane - Benzenoid - Ether - Acetal - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organooxygen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Alkyl halide - Alkyl chloride - 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