Compound Identification
SMILES
CCCCCCCCCCCCCC(=O)O[C@@H]1C[C@@H]2C(=O)OC[C@H]3[C@@H]4CC[C@H]([C@H](C)[C@@H](O)[C@H](O)[C@H](C)C(C)C)[C@@]4(C)CC[C@@H]3[C@@]2(C)C[C@H]1OCC1=CC=CC=C1
InChIKey
InChIKey=JGBGUXLJDIRFRG-BJUNLWNUSA-N
Formula
C49H80O7
Mass
781.172
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
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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
Benzylethers Oxepanes Fatty acid esters Dicarboxylic acids and derivatives Secondary alcohols Lactones Carboxylic acid esters 1,2-diols Oxacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Brassinolide-skeleton - Benzylether - Caprolactone - Fatty acid ester - Oxepane - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Fatty acyl - Benzenoid - Lactone - Carboxylic acid ester - Secondary alcohol - 1,2-diol - Oxacycle - Ether - Dialkyl ether - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic 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