Compound Identification
SMILES
[H]OC([H])([H])N([H])C1([H])C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2C#CC([H])([H])C([H])([H])C23C([H])([H])C4([H])C#CC([H])([H])C([H])(C([H])([H])C5=C([H])C([H])=C([H])C([H])=C5[H])C5([H])C([H])([H])C([H])([H])C6(C5([H])[H])C([H])([H])C5(C([H])=O)C4([H])C(O[H])(C([H])(O[H])C4([H])C([H])([H])C([H])(C([H])([H])C([H])([H])C([H])(C6([H])O[H])C54O[H])C([H])(C([H])([H])[H])C4([H])C([H])([H])C([H])([H])C([H])([H])C4([H])[H])C2(O[H])C([H])([H])C2([H])C([H])([H])C1([H])C1([H])OC(=O)C([H])=C1C32[H]
InChIKey
InChIKey=VLKUBRRKFBEYNP-UHFFFAOYSA-N
Formula
C63H77NO9
Mass
992.307
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
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Class
Prenol lipids
- Subclass Triterpenoids
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Class
Prenol lipids
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Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Triterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Triterpenoids
Alternative Parents
Cardenolides and derivatives Macrolides and analogues Butenolides Benzene and substituted derivatives Tertiary alcohols Enoate esters Secondary alcohols Lactones Hemiaminals Cyclic alcohols and derivatives Amino acids and derivatives Polyols Oxacyclic compounds Monocarboxylic acids and derivatives Dialkylamines Organopnictogen compounds Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Triterpenoid - Cardanolide-skeleton - Steroid lactone - Steroid - Macrolide - Benzenoid - 2-furanone - Monocyclic benzene moiety - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary alcohol - Dihydrofuran - Cyclic alcohol - Secondary alcohol - Lactone - Hemiaminal - Carboxylic acid ester - Amino acid or derivatives - Oxacycle - Organoheterocyclic compound - Secondary amine - Polyol - Monocarboxylic acid or derivatives - Secondary aliphatic amine - Carboxylic acid derivative - Alkanolamine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Aldehyde - Alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.
External Descriptors
Not available