Compound Identification
SMILES
C[C@]12CCC(COS(C)(=O)=O)(COS(C)(=O)=O)[C@H]1[C@H]1[C@H](CCC1=C)C2
InChIKey
InChIKey=SNRJEQXCQRGMBD-LVQVYYBASA-N
Formula
C17H28O6S2
Mass
392.53
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
Subclass
Sesquiterpenoids
-
Level 5
Triquinane sesquiterpenoids
- Level 6 Linear triquinanes
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Level 5
Triquinane sesquiterpenoids
-
Subclass
Sesquiterpenoids
-
Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Sesquiterpenoids
Intermediate Tree Nodes
Triquinane sesquiterpenoids - Linear triquinanes
Direct Parent
Capnellane and isocapnellane sesquiterpenoids
Alternative Parents
Sulfonic acid esters Organosulfonic acid esters Sulfonyls Methanesulfonates Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Capnellane sesquiterpenoid - Organosulfonic acid ester - Sulfonic acid ester - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Methanesulfonate - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as capnellane and isocapnellane sesquiterpenoids. These are sesquiterpenes with a structure characterized by the presence of a tricyclo[6.3.0.0^2,6]undecane ring system, which is also found in the hirsutane group. However, capnellanes carry two methyl groups at the 3-position.
External Descriptors
Not available