Compound Identification
SMILES
CCOC1=CC2=CC[C@H]3[C@@H]4C[C@H](C)[C@](CCC(O)=O)(C(=O)CCl)[C@@]4(C)C[C@@H]4O[C@]34[C@@]2(C)CC1O
InChIKey
InChIKey=UUWLECRZBTYDGS-WEVBSCEZSA-N
Formula
C27H37ClO6
Mass
493.04
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
Subclass
Monoterpenoids
- Level 5 Iridoids and derivatives
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Subclass
Monoterpenoids
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Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Monoterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Iridoids and derivatives
Alternative Parents
Medium-chain fatty acids Oxepanes Hydroxy fatty acids Heterocyclic fatty acids Halogenated fatty acids Alpha-chloroketones Secondary alcohols Oxacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Dialkyl ethers Epoxides Hydrocarbon derivatives Organic oxides Organochlorides Alkyl chlorides Aldehydes
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
11-noriridane monoterpenoid - Medium-chain fatty acid - Halogenated fatty acid - Heterocyclic fatty acid - Hydroxy fatty acid - Oxepane - Fatty acyl - Alpha-haloketone - Alpha-chloroketone - Ketone - Secondary alcohol - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Dialkyl ether - Oxacycle - Oxirane - Ether - Aldehyde - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Alcohol - Organohalogen compound - Organochloride - Carbonyl group - Alkyl halide - Alkyl chloride - Organooxygen compound - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as iridoids and derivatives. These are monoterpenes containing a skeleton structurally characterized by the presence of a cylopentane fused to a pyran ( forming a 4,7-dimethylcyclopenta[c]pyran), or a derivative where the pentane moiety is open.
External Descriptors
Not available