Compound Identification
SMILES
[H]OC1([H])C([H])([H])C([H])([H])C2(C([H])=O)C3([H])C([H])([H])C([H])([H])C4(C([H])([H])[H])C5([H])C6=C([H])C(=O)OC6([H])C(=C([H])C5([H])C([H])([H])C4(O[H])C3(O[H])C([H])([H])C3([H])C([H])([H])C([H])(C([H])([H])C([H])([H])C1([H])C23O[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])N([H])C([H])([H])C([H])([H])[N+]([H])([H])C([H])([H])[H]
InChIKey
InChIKey=PYYINXNKQRSPKN-UHFFFAOYSA-O
Formula
C36H55N2O7
Mass
627.842
Taxonomic Classification
Taxonomy Tree
-
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 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
Sesterterpenoids Hydroxysteroids Butenolides Tertiary alcohols Enoate esters Secondary alcohols Lactones Cyclic alcohols and derivatives Amino acids and derivatives Polyols Oxacyclic compounds Monocarboxylic acids and derivatives Dialkylamines Organopnictogen compounds Organic oxides Hydrocarbon derivatives Aldehydes Organic cations
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Sesterterpenoid - Cardanolide-skeleton - Hydroxysteroid - 5-hydroxysteroid - 2-furanone - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary alcohol - Dihydrofuran - Cyclic alcohol - Secondary alcohol - Lactone - Carboxylic acid ester - Amino acid or derivatives - Oxacycle - Organoheterocyclic compound - Secondary amine - Polyol - Monocarboxylic acid or derivatives - Secondary aliphatic amine - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Aldehyde - Alcohol - Organic cation - 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