Structure Information
Structure

Compound Identification

SMILES

CC(=O)OC[C@]12CCCC(C)(C)C1CC[C@]1(C)C2CC[C@]2(C)[C@H]3[C@H](OC(C)=O)OC(=O)C3=CCC12

InChIKey

InChIKey=HTBVRXFAQQUUQL-CKHLWQHRSA-N

Formula

C29H42O6

Mass

486.649

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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

Aliphatic heteropolycyclic compounds

Substituents

Scalarane sesterterpenoid - 17-oxosteroid - Oxosteroid - 16-oxasteroid - Steroid - Tricarboxylic acid or derivatives - Acylal - Gamma butyrolactone - Alpha,beta-unsaturated carboxylic ester - Tetrahydrofuran - Enoate ester - Lactone - Carboxylic acid ester - Organoheterocyclic compound - Oxacycle - Acetal - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen 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

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