Compound Identification
SMILES
CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@@H]1[C@]34CO[C@]21C[C@@H](O)[C@@]3(O)C[C@H](CC4)OS(O)(=O)=O
InChIKey
InChIKey=MWTQCWZOXMULHF-QZSJCTLHSA-N
Formula
C27H46O7S
Mass
514.72
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
Oxepanes Sulfuric acid monoesters Alkyl sulfates Tetrahydrofurans Tertiary alcohols Secondary alcohols Cyclic alcohols and derivatives 1,2-diols Oxacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Cholane-skeleton - Oxepane - Sulfuric acid ester - Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - Cyclic alcohol - Organic sulfuric acid or derivatives - Tetrahydrofuran - Tertiary alcohol - 1,2-diol - Secondary alcohol - Dialkyl ether - Ether - Oxacycle - Organoheterocyclic compound - Alcohol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organic oxide - 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
CHEBI:68591 : steroid sulfate - organic heteropentacyclic compound - diol - bridged compound - cyclic ether - 5alpha-hydroxy steroid - 6beta-hydroxy steroid