Compound Identification
SMILES
CC(=O)O[C@H]1C[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)[C@@H]2CC=C([C@H](C=O)[C@@]12C)C(C)=O
InChIKey
InChIKey=GUCCFXKAFOIGKY-UMNWJQNBSA-N
Formula
C28H42O4
Mass
442.64
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 Ketones Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Scalarane sesterterpenoid - Oxosteroid - 17-oxosteroid - Steroid - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aldehyde - Aliphatic homopolycyclic 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