Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=AYHRXZJQXUDDKY-IKNGBMPKSA-N

Formula

C27H40O5

Mass

444.612

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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 homopolycyclic compounds

Substituents

Scalarane sesterterpenoid - Hydroxysteroid - 17-oxosteroid - 17-hydroxysteroid - Oxosteroid - Steroid - Dicarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Aldehyde - Carbonyl group - Hydrocarbon derivative - Aliphatic 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

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