Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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