Structure Information
Structure

Compound Identification

SMILES

C[C@H]1C[C@H](C=C(C)C)c2c(C)c(O[C@@H]3OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3O)c(O)c3[C@@H](C)CC[C@H]1c23

InChIKey

InChIKey=AXXBUCAUNFEVQG-YYQRKLPESA-N

Formula

C29H40O8

Mass

516.631

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Prenol lipids

Subclass

Diterpenoids

Intermediate Tree Nodes

Not available

Direct Parent

Amphilectane, neoamphilectane, cycloamphilectane, and adociane diterpenoids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Amphilectane, neoamphilectane, cycloamphilectane, or adociane diterpenoid - Tetralin - Benzenoid - Oxane - Monosaccharide - Dicarboxylic acid or derivatives - Secondary alcohol - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as amphilectane, neoamphilectane, cycloamphilectane, and adociane diterpenoids. These are diterpenoids with a structure based on the amphilectane or a seco-,neo-, or cyclo- derivative thereof. Amphilectane is a tricyclic structure made up of three cyclohexane fused together, with a methyl group at the C11-, C7-, and C3- positions. Additionally, it carries a 2-methylpropyl group at the C1-position. Amphilectanes are presumably derived from serrulatanes. Cycloamphilectanes represent a further cyclisation.

External Descriptors

Not available

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