Compound Identification
SMILES
[Na+].[Na+].[Na+].C[C@H](CCC(C)C1=CC(=O)OC1O)[C@H]1CC[C@@]2(C)[C@@H]3C[C@H](OS([O-])(=O)=O)[C@H]4[C@@H](O)[C@H](OS([O-])(=O)=O)[C@H](C[C@]4(C)C3=CC[C@]12C)OS([O-])(=O)=O
InChIKey
InChIKey=YBDMUTVENCIYLQ-HBXCSJRJSA-K
Formula
C30H43Na3O16S3
Mass
824.81
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
- Subclass Hydroxysteroids
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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
Hydroxysteroids
Intermediate Tree Nodes
Not available
Direct Parent
Hydroxysteroids
Alternative Parents
14-alpha-methylsteroids Terpene lactones Sulfated steroids Sesquiterpenoids Sulfuric acid monoesters Alkyl sulfates Butenolides Cyclitols and derivatives Enoate esters Secondary alcohols Hemiacetals Lactones Monocarboxylic acids and derivatives Oxacyclic compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives Organic sodium salts
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Sulfated steroid skeleton - 14-alpha-methylsteroid - Hydroxysteroid - 4-hydroxysteroid - Terpene lactone - Pinguisane sesquiterpenoid - Sesquiterpenoid - Cyclitol or derivatives - Sulfuric acid ester - Alkyl sulfate - 2-furanone - Sulfate-ester - Sulfuric acid monoester - Organic sulfuric acid or derivatives - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Cyclic alcohol - Dihydrofuran - Carboxylic acid ester - Hemiacetal - Lactone - Secondary alcohol - Monocarboxylic acid or derivatives - Organic alkali metal salt - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxygen compound - Organic sodium salt - Hydrocarbon derivative - Alcohol - Carbonyl group - Organooxygen compound - Organic oxide - Organic salt - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as hydroxysteroids. These are compounds containing an steroid backbone, with at least one hydrogen substituted by a hydroxyl group.
External Descriptors
Not available