Compound Identification
SMILES
CC1(C)CCC[C@@]2(C)C1CC[C@]1(C)[C@@H]2C[C@@H](OCC2=CC=CC=C2)[C@]2(C)C3=C(COC3=O)CC=C12
InChIKey
InChIKey=MFAPEAGTJSNHIW-TZGWMYCFSA-N
Formula
C32H42O3
Mass
474.685
Taxonomic Classification
Taxonomy Tree
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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
Oxasteroids and derivatives Benzylethers Butenolides Enoate esters Lactones Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Scalarane sesterterpenoid - 16-oxasteroid - Steroid - Benzylether - Monocyclic benzene moiety - 2-furanone - Benzenoid - Dihydrofuran - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Lactone - Monocarboxylic acid or derivatives - Ether - Oxacycle - Dialkyl ether - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Aromatic 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