Compound Identification
SMILES
CC1(C)CCCC2(C)C1CCC1(C)C(CCC3=COC=C3)C(CCC21)=COS(O)(=O)=O
InChIKey
InChIKey=WGQUKTHZSJRQFE-UHFFFAOYSA-N
Formula
C25H38O5S
Mass
450.63
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
- Subclass Diterpenoids
-
Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Diterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Colensane and clerodane diterpenoids
Alternative Parents
Steroids and steroid derivatives Hydrophenanthrenes Sulfuric acid monoesters Heteroaromatic compounds Furans Oxacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Clerodane diterpenoid - Steroid - Hydrophenanthrene - Phenanthrene - Sulfuric acid ester - Sulfate-ester - Sulfuric acid monoester - Furan - Organic sulfuric acid or derivatives - Heteroaromatic compound - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as colensane and clerodane diterpenoids. These are diterpenoids with a structure based on the clerodane or the colensane skeleton. Clerodanes arise from labdanes by two methyl migrations.
External Descriptors
Not available