Compound Identification
SMILES
CC1(C)CCC[C@@]2(C)C1CC[C@@]1(C)[C@@H]3CC=C4C(COC4=O)[C@@]3(C)[C@H](O)C[C@H]21
InChIKey
InChIKey=XJAQPGLKAWWKLX-MKAFFHLHSA-N
Formula
C25H38O3
Mass
386.576
Taxonomic Classification
Taxonomy Tree
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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 7-hydroxysteroids 17-oxosteroids Oxasteroids and derivatives Gamma butyrolactones Tetrahydrofurans Enoate esters Secondary alcohols Cyclic alcohols and derivatives Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Scalarane sesterterpenoid - Steroid lactone - Hydroxysteroid - 17-oxosteroid - Oxosteroid - 7-hydroxysteroid - Steroid - 16-oxasteroid - Gamma butyrolactone - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Tetrahydrofuran - Cyclic alcohol - Carboxylic acid ester - Secondary alcohol - Lactone - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Organooxygen compound - Alcohol - Organic oxide - Hydrocarbon derivative - Organic oxygen 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