Compound Identification
SMILES
CCCCCC(O)O[C@@]1(CC[C@H]2C3=C([C@@H](O)C[C@]12C)[C@@]1(C)C=CC(=O)C=C1CC3)C(=O)COS(=O)(=O)C1=CC=C(C)C=C1
InChIKey
InChIKey=FKNYRSPFVGGWCX-SQPBKIKSSA-N
Formula
C34H44O8S
Mass
612.78
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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Class
Steroids and steroid derivatives
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Subclass
Oxosteroids
- Level 5 20-oxosteroids
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Subclass
Oxosteroids
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Class
Steroids and steroid derivatives
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Subclass
Oxosteroids
Intermediate Tree Nodes
Not available
Direct Parent
20-oxosteroids
Alternative Parents
Androgens and derivatives 11-beta-hydroxysteroids 3-oxo delta-1,4-steroids Delta-1,4-steroids p-Methylbenzenesulfonates Benzenesulfonate esters Tosyl compounds Arylsulfonic acids and derivatives Benzenesulfonyl compounds Organosulfonic acid esters Sulfonyls Secondary alcohols Hemiacetals Cyclic ketones Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
20-oxosteroid - Androgen-skeleton - Androstane-skeleton - 3-oxo-delta-1,4-steroid - 3-oxosteroid - 11-hydroxysteroid - 11-beta-hydroxysteroid - Hydroxysteroid - Delta-1,4-steroid - Benzenesulfonate ester - P-methylbenzenesulfonate - Tosyl compound - Benzenesulfonate - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Toluene - Monocyclic benzene moiety - Organosulfonic acid ester - Benzenoid - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Secondary alcohol - Hemiacetal - Cyclic ketone - Ketone - Alcohol - Carbonyl group - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as 20-oxosteroids. These are steroid derivatives carrying a C=O group at the 20-position of the steroid skeleton.
External Descriptors
Not available