Compound Identification
SMILES
CCCCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H]4O[C@@]44C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OS(=O)(=O)C1=CC=C(C)C=C1
InChIKey
InChIKey=YRVBEWMLJKIBQL-IWETXRROSA-N
Formula
C33H50O4S
Mass
542.82
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
5,6-epoxysteroids p-Methylbenzenesulfonates Benzenesulfonate esters Tosyl compounds Benzenesulfonyl compounds Arylsulfonic acids and derivatives Oxepanes Organosulfonic acid esters Sulfonyls Oxacyclic compounds Epoxides Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cholane-skeleton - 5,6-epoxysteroid - Steroid - Benzenesulfonate ester - P-methylbenzenesulfonate - Benzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Oxepane - Toluene - Benzenoid - Monocyclic benzene moiety - Organosulfonic acid ester - Organic sulfonic acid or derivatives - Sulfonyl - Organosulfonic acid or derivatives - Oxacycle - Organoheterocyclic compound - Dialkyl ether - Oxirane - Ether - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Organic oxide - Organic oxygen compound - Aromatic 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