Compound Identification
SMILES
CCC(C)C(=O)O[C@@H]1[C@H]2[C@@H](C)[C@@H](OC(C)=O)C(=O)[C@@H]3[C@]4(C)[C@@H](C[C@@H](OC1=O)[C@@]23COC(C)=O)[C@H](C)C[C@H](OC(C)=O)[C@H]4OC(C)=O
InChIKey
InChIKey=WXUOAHAGOPIJCM-JGTRRZFUSA-N
Formula
C33H46O13
Mass
650.718
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
Subclass
Terpene lactones
- Level 5 Quassinoids
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Subclass
Terpene lactones
-
Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Terpene lactones
Intermediate Tree Nodes
Not available
Direct Parent
Quassinoids
Alternative Parents
Triterpenoids Hexacarboxylic acids and derivatives Naphthopyrans Naphthalenes Fatty acid esters Delta valerolactones Alpha-acyloxy ketones Pyrans Oxanes Ketones Carboxylic acid esters Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Triterpenoid - C-20 quassinoid skeleton - Hexacarboxylic acid or derivatives - Quassinoid - Naphthopyran - Naphthalene - Alpha-acyloxy ketone - Delta_valerolactone - Fatty acid ester - Delta valerolactone - Fatty acyl - Pyran - Oxane - Lactone - Ketone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as quassinoids. These are a group of compounds chemically degraded from triterpenes. According to their basic skeleton, quassinoids are categorized into five distinct groups, C-18, C-19, C-20, C-22 and C-25 types. The C-20 quassinoids can be further classified into two types, tetracyclic and the pentacyclic. The tetracyclic variety does not have oxygenation at C-20, while the pentacyclic quassinoids possess additional oxygenation at C-20 that allows for the formation of an additional ring.
External Descriptors
Not available