Structure Information
Structure

Compound Identification

SMILES

CC[C@@]1(C)CCC[C@@]2(C)C1CC[C@@]1(C)[C@@H]3CCC4=C(C(=O)O[C@H]4C)[C@@]3(C)C(=O)C[C@H]21

InChIKey

InChIKey=OTZAFYKTECUBAV-NOCSNNANSA-N

Formula

C27H40O3

Mass

412.614

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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 - Steroid lactone - Oxosteroid - 7-oxosteroid - 16-oxasteroid - Steroid - 2-furanone - Dihydrofuran - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Lactone - Ketone - Carboxylic acid ester - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - 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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