Compound Identification
SMILES
CC(O)CC(=O)O[C@H]1CC2[C@@]3(C)CCC[C@@]4(C[C@@H]4C)C3CC[C@@]2(C)[C@@H]2C[C@@H](O)C3=C(C(=O)O[C@H]3C)[C@@]12C
InChIKey
InChIKey=GMPQFFRAVQYLDF-IMVGKTHHSA-N
Formula
C31H46O6
Mass
514.703
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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Class
Prenol lipids
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Subclass
Sesterterpenoids
- Level 5 Scalarane sesterterpenoids
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Subclass
Sesterterpenoids
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Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Sesterterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Scalarane sesterterpenoids
Alternative Parents
Steroid lactones 12-hydroxysteroids Oxasteroids and derivatives Fatty acid esters Beta hydroxy acids and derivatives Dicarboxylic acids and derivatives Butenolides Enoate esters Secondary alcohols Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Scalarane sesterterpenoid - Steroid lactone - 12-hydroxysteroid - Hydroxysteroid - Steroid - 16-oxasteroid - Beta-hydroxy acid - Fatty acid ester - 2-furanone - Dicarboxylic acid or derivatives - Fatty acyl - Hydroxy acid - Dihydrofuran - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Lactone - Secondary alcohol - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organooxygen compound - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as scalarane sesterterpenoids. These are sesterterpenoids with a structure based on the scalarane backbone. Scalarane is a tetracyclic compound, which is similar the homoandrostane with five methyl groups at the 4-, 4-, 8-, 17-, 17a-positions.
External Descriptors
Not available