Compound Identification
SMILES
COC(=O)C1=C(C(=O)OC)[C@@]2(C)[C@@H](C[C@@H]3[C@@]4(C)CCCC(C)(C)C4CC[C@@]3(C)C2=CC1)OCC1=CC=CC=C1
InChIKey
InChIKey=MCGULYNVPFRNJE-CAYABILVSA-N
Formula
C34H46O5
Mass
534.737
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
17-oxosteroids Benzylethers Dicarboxylic acids and derivatives Methyl esters Enoate esters Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Scalarane sesterterpenoid - 17-oxosteroid - Oxosteroid - Steroid - Benzylether - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Carboxylic acid ester - Ether - Dialkyl ether - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organic oxide - Aromatic 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