Compound Identification
SMILES
CC(C)[C@H](C)[C@@H](OC1OC(CO)C(O)C(O)C1O)[C@H](O)[C@@H](C)C1CCC2C3COC(=O)[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)C3CC[C@]12C
InChIKey
InChIKey=ZGXCUMDOLQMEFX-MCFLZGITSA-N
Formula
C34H58O11
Mass
642.827
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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Class
Steroids and steroid derivatives
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Subclass
Steroid lactones
- Level 5 Brassinolides and derivatives
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Subclass
Steroid lactones
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Class
Steroids and steroid derivatives
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Subclass
Steroid lactones
Intermediate Tree Nodes
Not available
Direct Parent
Brassinolides and derivatives
Alternative Parents
Diterpene glycosides Steroidal glycosides Diterpene lactones Diterpenoids Fatty acyl glycosides of mono- and disaccharides Alkyl glycosides Hexoses O-glycosyl compounds Oxepanes Oxanes Lactones Cyclic alcohols and derivatives Carboxylic acid esters Secondary alcohols Oxacyclic compounds Acetals Polyols Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Primary alcohols Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Brassinolide-skeleton - Diterpene glycoside - Steroidal glycoside - Diterpenoid - Diterpene lactone - Terpene glycoside - Fatty acyl glycoside of mono- or disaccharide - Fatty acyl glycoside - Alkyl glycoside - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Caprolactone - Oxepane - Oxane - Monosaccharide - Fatty acyl - Cyclic alcohol - Carboxylic acid ester - Secondary alcohol - Lactone - Polyol - Organoheterocyclic compound - Oxacycle - Acetal - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Primary alcohol - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as brassinolides and derivatives. These are cholestane based steroid lactones containing benzo[c]indeno[5,4-e]oxepin-3-one.
External Descriptors
Not available