Structure Information
Structure

Compound Identification

SMILES

CC(=O)OC[C@@]12CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]1C[C@@H](O)[C@]1(C)[C@H]3[C@H](O)OCC3=CC[C@@H]21

InChIKey

InChIKey=JEKWLYYGSPKXIZ-FVIMVWJTSA-N

Formula

C27H42O5

Mass

446.628

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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 - 15-hydroxysteroid - Hydroxysteroid - 7-hydroxysteroid - 16-oxasteroid - Steroid - Tetrahydrofuran - Cyclic alcohol - Secondary alcohol - Hemiacetal - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Alcohol - Organooxygen compound - Organic oxide - Organic oxygen 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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