Structure Information
Structure

Compound Identification

SMILES

CC(=O)O[C@@H]1C2=C(C)[C@@H](O)C[C@@](O)([C@@H](OC(=O)C3=CC=CC=C3)[C@@H]3[C@@]4(CO[C@@H]4C[C@@H](O)[C@@]3(CO)C1=O)OC(C)=O)C2(C)C

InChIKey

InChIKey=SYDMVWLQJZBPIU-QZDKRUOYSA-N

Formula

C31H38O12

Mass

602.633

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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 heteropolycyclic compounds

Substituents

Taxane diterpenoid - Benzoate ester - Benzoic acid or derivatives - Tricarboxylic acid or derivatives - Benzoyl - Alpha-acyloxy ketone - Monocyclic benzene moiety - Benzenoid - Cyclic alcohol - Tertiary alcohol - Carboxylic acid ester - Ketone - Oxetane - Secondary alcohol - Ether - Dialkyl ether - Organoheterocyclic compound - Carboxylic acid derivative - Oxacycle - Polyol - Organooxygen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Primary alcohol - Organic oxide - Aromatic heteropolycyclic 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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