Compound Identification
SMILES
C[C@]1(CCC[C@@]2(C)[C@@H]3CC[C@]4(O)C[C@]3(C[C@@]4(O)CCl)CC[C@H]12)C=O
InChIKey
InChIKey=DTMIPKXLCMUODX-KOGWCRERSA-N
Formula
C20H31ClO3
Mass
354.92
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
Subclass
Diterpenoids
- Level 5 Kaurane diterpenoids
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Subclass
Diterpenoids
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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
Diterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Kaurane diterpenoids
Alternative Parents
Tertiary alcohols Cyclic alcohols and derivatives Chlorohydrins 1,2-diols Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides Aldehydes
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Kaurane diterpenoid - Cyclic alcohol - Tertiary alcohol - 1,2-diol - Chlorohydrin - Halohydrin - Organochloride - Organohalogen compound - Aldehyde - Organic oxygen compound - Alcohol - Carbonyl group - Alkyl halide - Alkyl chloride - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as kaurane diterpenoids. These are diterpene alkaloids with a structure that is based on the kaurane skeleton. Kaurane is a tetracyclic compound that arises by cyclisation of a pimarane precursor followed by rearrangement. It possesses a [3,2,1]-bicyclic ring system with C15-C16 bridge connected to C13, forming the five-membered ring D.
External Descriptors
Not available