Compound Identification
SMILES
CC=C(C)C(=O)OC[C@@]12[C@@H](O)C[C@@H]3C(=CC[C@H]4[C@@]3(C)CC[C@H]3[C@](C)(CO)[C@H](CC[C@]43C)OC[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@@H]1CC(C)(C)[C@@H](O)[C@@H]2O
InChIKey
InChIKey=UFLYNGKHUIKDJO-YDVFSOTJSA-N
Formula
C41H64O13
Mass
764.95
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Steroids and steroid derivatives
Alternative Parents
Glucuronic acid derivatives Hexoses C-glycosyl compounds Fatty acid esters Beta hydroxy acids and derivatives Pyrans Oxanes Dicarboxylic acids and derivatives Enoate esters Secondary alcohols Cyclic alcohols and derivatives Polyols Oxacyclic compounds Dialkyl ethers Carboxylic acids Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Steroid - Glucuronic acid or derivatives - Hexose monosaccharide - Glycosyl compound - C-glycosyl compound - Fatty acid ester - Beta-hydroxy acid - Fatty acyl - Pyran - Oxane - Monosaccharide - Hydroxy acid - Dicarboxylic acid or derivatives - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Cyclic alcohol - Secondary alcohol - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Polyol - Ether - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as steroids and steroid derivatives. These are compounds based on the cyclopenta[a]phenanthrene carbon skeleton, partially or completely hydrogenated; there are usually methyl groups at C-10 and C-13, and often an alkyl group at C-17. By extension, one or more bond scissions, ring expansions and/or ring contractions of the skeleton may have occurred.
External Descriptors
Not available