Compound Identification
SMILES
COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H](CCC3=C[C@@H]4C[C@@]5(C)C(=O)N6CCS[C@@H]6[C@]35O4)C(=C)CC[C@@H]12
InChIKey
InChIKey=SAXLVLJUYCMVEY-UPCFSLNPSA-N
Formula
C28H39NO4S
Mass
485.68
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
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Class
Prenol lipids
- Subclass Diterpenoids
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Class
Prenol lipids
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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
Isoindolones Furopyrroles N-alkylpyrrolidines Pyrrolidine-2-ones Dihydrofurans Furans Thiazolidines Methyl esters Tertiary carboxylic acid amides Oxolanes Pyrroles Lactams Amino acids and derivatives Tertiary amines Dialkyl ethers Thiohemiaminal derivatives Monocarboxylic acids and derivatives Dialkylthioethers Oxacyclic compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Clerodane diterpenoid - Isoindolone - Isoindoline - Isoindole or derivatives - Furopyrrole - Pyrrolidone - 2-pyrrolidone - N-alkylpyrrolidine - Dihydrofuran - Furan - Oxolane - Pyrrole - Pyrrolidine - Tertiary carboxylic acid amide - Thiazolidine - Methyl ester - Carboxamide group - Amino acid or derivatives - Lactam - Carboxylic acid ester - Tertiary amine - Azacycle - Oxacycle - Dialkylthioether - Organoheterocyclic compound - Dialkyl ether - Monocarboxylic acid or derivatives - Hemithioaminal - Thioether - Carboxylic acid derivative - Ether - Carbonyl group - Amine - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Aliphatic 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