Compound Identification
SMILES
C[C@@]1(CO)CCC[C@@]2(C)C1CC[C@]1(C)[C@@H]2CC[C@]2(C)[C@H]3[C@H](O)OC(=O)C3=CCC12
InChIKey
InChIKey=XWEUBXKNBVNVNK-YJZUQUOUSA-N
Formula
C25H38O4
Mass
402.575
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
Hydroxysteroids 17-oxosteroids Oxasteroids and derivatives Gamma butyrolactones Oxolanes Enoate esters Hemiacetals Oxacyclic compounds Monocarboxylic acids and derivatives Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Scalarane sesterterpenoid - 15-hydroxysteroid - Hydroxysteroid - 17-oxosteroid - Oxosteroid - 16-oxasteroid - Steroid - Gamma butyrolactone - Oxolane - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Lactone - Hemiacetal - Carboxylic acid ester - Organoheterocyclic compound - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Alcohol - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Primary alcohol - 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