Compound Identification
SMILES
CC(=O)OC[C@]12CCCC(C)(C)C1CC[C@]1(C)C2CC[C@]2(C)[C@H]3[C@H](OC(C)=O)OC(=O)C3=CCC12
InChIKey
InChIKey=HTBVRXFAQQUUQL-CKHLWQHRSA-N
Formula
C29H42O6
Mass
486.649
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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
17-oxosteroids Oxasteroids and derivatives Tricarboxylic acids and derivatives Acylals Gamma butyrolactones Tetrahydrofurans Enoate esters Oxacyclic compounds Acetals Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Scalarane sesterterpenoid - 17-oxosteroid - Oxosteroid - 16-oxasteroid - Steroid - Tricarboxylic acid or derivatives - Acylal - Gamma butyrolactone - Alpha,beta-unsaturated carboxylic ester - Tetrahydrofuran - Enoate ester - Lactone - Carboxylic acid ester - Organoheterocyclic compound - Oxacycle - Acetal - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Carbonyl group - 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