Structure Information
Structure

Compound Identification

SMILES

CC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@@]1(C[C@@]2(C)O)C[C@@H](OC(C)=O)[C@@]1(O)C([C@@H]2O[C@@H]2C1(C)C)[C@]3(C)O

InChIKey

InChIKey=BQXZYRJBFJGDSL-CYAKPIJTSA-N

Formula

C24H36O8

Mass

452.544

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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

Grayanoids

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Grayanoid - Dicarboxylic acid or derivatives - Oxane - Cyclic alcohol - Tertiary alcohol - Carboxylic acid ester - Carboxylic acid derivative - Dialkyl ether - Oxirane - Ether - Oxacycle - Polyol - Organoheterocyclic compound - Hydrocarbon derivative - Carbonyl group - Alcohol - Organooxygen compound - Organic oxygen compound - Organic oxide - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as grayanoids. These are diterpenoids containing a skeleton based on or derived from the ent-kaurane moiety. Grayanoids usually possess either one of the grayanane, the 2,4-seco-grayanane, the 9,10-seco-grayanane, the 1,5-seco-grayanane, the kalmane, or the leucothane skeleton. Some derivatives also include the 1,5-seco-kalmane skeleton.

External Descriptors

Not available

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