Compound Identification
SMILES
[H][C@]1(CC[C@@]2(O)[C@]3([H])CC[C@]4([H])C[C@@]([H])(CC[C@]4(C)[C@]3([H])[C@]([H])(O)C(=O)[C@@]12C)OC(=O)CCCCCCC(O)=O)C1=COC(=O)C=C1
InChIKey
InChIKey=LYCCSNYEMCXNRM-ZDRZCFAJSA-N
Formula
C32H44O9
Mass
572.695
Taxonomic Classification
Taxonomy Tree
-
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 Bufanolides 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
Bufanolides and derivatives
Alternative Parents
Steroid esters 11-alpha-hydroxysteroids 14-hydroxysteroids Oxosteroids Medium-chain fatty acids Pyranones and derivatives Heterocyclic fatty acids Hydroxy fatty acids Dicarboxylic acids and derivatives Heteroaromatic compounds Tertiary alcohols Ketones Cyclic alcohols and derivatives Carboxylic acid esters Secondary alcohols Lactones Oxacyclic compounds Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Bufanolide-skeleton - Steroid ester - 14-hydroxysteroid - Hydroxysteroid - 12-oxosteroid - Oxosteroid - 11-alpha-hydroxysteroid - 11-hydroxysteroid - Medium-chain fatty acid - Pyranone - Heterocyclic fatty acid - Hydroxy fatty acid - Fatty acyl - Fatty acid - Pyran - Dicarboxylic acid or derivatives - Heteroaromatic compound - Tertiary alcohol - Cyclic alcohol - Carboxylic acid ester - Secondary alcohol - Ketone - Lactone - Carboxylic acid - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as bufanolides and derivatives. These are steroid lactones containing a pyran-2-one moiety linked to the C17 atom of a cyclopenta[a]phenanthrene derivative.
External Descriptors
Not available