Structure Information
Structure

Compound Identification

SMILES

CN(C)C(CC(=O)OC1CCC2(C)C(C(O)C3(O)CC(OC(C)=O)C(C)=C(C(OC(C)=O)C2O)C3(C)C)C1=C)c1ccccc1

InChIKey

InChIKey=WTJDPCYGOROFTO-UHFFFAOYSA-N

Formula

C35H49NO9

Mass

627.775

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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

Taxanes and derivatives

Alternative Parents

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

Taxane diterpenoid - Tricarboxylic acid or derivatives - Fatty acid ester - Aralkylamine - Fatty acyl - Monocyclic benzene moiety - Benzenoid - Tertiary alcohol - Amino acid or derivatives - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Carboxylic acid derivative - Polyol - Organooxygen compound - Organonitrogen compound - Alcohol - Organic oxygen compound - Organopnictogen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as taxanes and derivatives. These are diterpenoids with a structure based either on the taxane skeleton, or a derivative thereof. In term of phytochemistry, several derivatives of the taxane skeleton exist: 2(3->20)-abeotaxane, 3,11-cyclotaxane, 11(15->1),11(10->9)-abeotaxane, 3,8-seco-taxane, and 11(15->1)-abeotaxane, among others. More complex skeletons have been found recently, which include the taxane-derived [3.3.3] propellane ring system.

External Descriptors

Not available

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