Compound Identification
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H](CCC32O)C2=CC(=O)OC2)C1
InChIKey
InChIKey=CRVMLCAWYRGXHJ-QIROOBSUSA-N
Formula
C32H42O8S
Mass
586.74
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
- Subclass Vitamin D 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
Vitamin D and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Vitamin D and derivatives
Alternative Parents
Triterpenoids Cardenolides and derivatives Steroid esters 14-hydroxysteroids p-Methylbenzenesulfonates Benzenesulfonate esters Arylsulfonic acids and derivatives Sulfonic acid esters Organosulfonic acid esters Dicarboxylic acids and derivatives Butenolides Tertiary alcohols Sulfonyls Enoate esters Lactones Cyclic alcohols and derivatives Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Triterpenoid - Cardanolide-skeleton - Steroid lactone - Steroid ester - Hydroxysteroid - 14-hydroxysteroid - Benzenesulfonate ester - P-methylbenzenesulfonate - Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenoid - Organosulfonic acid ester - Sulfonic acid ester - Dicarboxylic acid or derivatives - 2-furanone - Monocyclic benzene moiety - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary alcohol - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Dihydrofuran - Cyclic alcohol - Lactone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as vitamin d and derivatives. These are compounds containing a secosteroid backbone, usually secoergostane or secocholestane.
External Descriptors
Not available