Compound Identification
SMILES
COC1C(O)C(O)COC1OC1C(O)C(O)COC1OCC[C@@H](CCC(C)[C@H]1C[C@@H](O)C2[C@]1(C)CCC1[C@@]3(C)CC[C@H](O)[C@H](O)C3[C@H](C[C@@]21O)OS([O-])(=O)=O)C(C)C
InChIKey
InChIKey=PKGPPUFPTMQBKM-KUYFYACSSA-M
Formula
C40H69O17S
Mass
854.04
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
- Subclass Stigmastanes and derivatives
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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
Stigmastanes and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Stigmastanes and derivatives
Alternative Parents
Triterpenoids 3-beta-hydroxysteroids Sulfated steroids Disaccharides O-glycosyl compounds Sulfuric acid monoesters Oxanes Alkyl sulfates Tertiary alcohols Secondary alcohols Cyclic alcohols and derivatives Polyols Acetals Oxacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives Organic anions
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Stigmastane-skeleton - Triterpenoid - Sulfated steroid skeleton - 3-hydroxysteroid - 4-hydroxysteroid - 15-hydroxysteroid - Hydroxysteroid - 3-beta-hydroxysteroid - Disaccharide - Glycosyl compound - O-glycosyl compound - Sulfate-ester - Sulfuric acid monoester - Alkyl sulfate - Sulfuric acid ester - Oxane - Tertiary alcohol - Cyclic alcohol - Organic sulfuric acid or derivatives - Secondary alcohol - Organoheterocyclic compound - Polyol - Dialkyl ether - Ether - Acetal - Oxacycle - Organic oxygen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Alcohol - Organic anion - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as stigmastanes and derivatives. These are sterol lipids with a structure based on the stigmastane skeleton, which consists of a cholestane moiety bearing an ethyl group at the carbon atom C24.
External Descriptors
Not available