Compound Identification
SMILES
COC1=CC(\C=C\C(=O)O[C@H]2CC[C@]3(C)[C@H]4CCC5C6[C@@H](CC[C@]6(C)CC[C@@]5(C)[C@@H]4CCC3C2(C)C)C(C)=C)=CC(O)=C1O
InChIKey
InChIKey=PNHCVSHXNORLCM-KTRPFKMWSA-N
Formula
C39H56O5
Mass
604.872
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
Sesquiterpenoids Coumaric acids and derivatives Cinnamic acid esters Methoxyphenols Styrenes Phenoxy compounds Methoxybenzenes Catechols Anisoles 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Fatty acid esters Enoate esters Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Carbonyl compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Steroid - Sesquiterpenoid - Cinnamic acid or derivatives - Coumaric acid or derivatives - Hydroxycinnamic acid or derivatives - Cinnamic acid ester - Methoxyphenol - Anisole - Catechol - Phenoxy compound - Phenol ether - Styrene - Methoxybenzene - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Fatty acid ester - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organic oxide - Aromatic homopolycyclic 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