Compound Identification
SMILES
CC(C)[C@@H](C)[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CCC2[C@@H]3COC(=O)[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)C3CC[C@]12C
InChIKey
InChIKey=IXVMHGVQKLDRKH-ZNHAIFKMSA-N
Formula
C28H48O6
Mass
480.686
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
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 lactones Diterpenoids Fatty alcohol esters Oxepanes Fatty acid esters Secondary alcohols Lactones Cyclic alcohols and derivatives Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Brassinolide-skeleton - Diterpenoid - Diterpene lactone - Fatty alcohol ester - Caprolactone - Oxepane - Fatty acid ester - Fatty acyl - Cyclic alcohol - Secondary alcohol - Lactone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Alcohol - 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