Compound Identification
SMILES
CC(=O)O[C@H]1CC[C@@]2(C)C(C[C@H](OC(C)=O)[C@@]3(C)OC4=C([C@H](O)C23)C(=O)OC(=C4)C2=CN=CC=C2)[C@]1(C)COS(=O)(=O)C1=CC=CC=C1
InChIKey
InChIKey=YKQKTEXFBZEMFY-ZDAZUYGVSA-N
Formula
C35H39NO11S
Mass
681.75
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
-
Subclass
Hydroxysteroids
- Level 5 1-hydroxysteroids
-
Subclass
Hydroxysteroids
-
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
Hydroxysteroids
Intermediate Tree Nodes
Not available
Direct Parent
1-hydroxysteroids
Alternative Parents
Naphthopyrans Benzenesulfonate esters Naphthalenes Arylsulfonic acids and derivatives Benzenesulfonyl compounds Alkyl aryl ethers Pyranones and derivatives Pyridines and derivatives Dicarboxylic acids and derivatives Organosulfonic acid esters Heteroaromatic compounds Sulfonyls Vinylogous esters Lactones Carboxylic acid esters Secondary alcohols Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-hydroxysteroid - Naphthopyran - Benzenesulfonate ester - Naphthalene - Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Alkyl aryl ether - Pyranone - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Pyran - Pyridine - Organosulfonic acid ester - Benzenoid - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Vinylogous ester - Lactone - Secondary alcohol - Carboxylic acid ester - Carboxylic acid derivative - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Carbonyl group - Organic oxygen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1-hydroxysteroids. These are steroids carrying a hydroxyl group at the 1-position of the steroid backbone.
External Descriptors
Not available