Compound Identification
SMILES
COC1=C[C@@H](C)O[C@@H](O[C@@H]2C[C@H]3CC[C@@H]4[C@H](C(=O)[C@@H](O)[C@@]5(C)[C@H](CC[C@@]45O)C4=CC(=O)OC4)[C@]3(C)C[C@H]2O)C1=O
InChIKey
InChIKey=PPGHVSHBDLAADD-VYRZVJNJSA-N
Formula
C30H40O10
Mass
560.64
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 Cardenolides 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
Cardenolides and derivatives
Alternative Parents
14-hydroxysteroids 12-hydroxysteroids 11-oxosteroids Dihydropyranones Butenolides Tertiary alcohols Enoate esters Secondary alcohols Lactones Cyclic ketones Cyclic alcohols and derivatives Polyols Oxacyclic compounds Monocarboxylic acids and derivatives Acetals Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Cardanolide-skeleton - Oxosteroid - 11-oxosteroid - Hydroxysteroid - 14-hydroxysteroid - 2-hydroxysteroid - 12-hydroxysteroid - Dihydropyranone - Pyran - 2-furanone - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary alcohol - Dihydrofuran - Cyclic alcohol - Cyclic ketone - Secondary alcohol - Lactone - Ketone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Polyol - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cardenolides and derivatives. These are steroid lactones containing a furan-2-one moiety linked to the C17 atom of a cyclopenta[a]phenanthrene derivative.
External Descriptors
Not available