Structure Information
Structure

Compound Identification

SMILES

[H][C@@]12C[C@]([H])(O)[C@]3(C)[C@]([H])([C@]([H])(OC(C)=O)[C@@]4(C[C@]([H])(O)C(C)=C4[C@@]([H])(OC(=O)C4=CC=CC=C4)[C@]3([H])O)C(C)(C)O)[C@@]1(CO2)OC(C)=O

InChIKey

InChIKey=JVNBUTMHGUDQKH-LPRGFTSCSA-N

Formula

C31H40O11

Mass

588.65

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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

11(15->1)-abeotaxane diterpenoid - Benzoate ester - Benzoic acid or derivatives - Tricarboxylic acid or derivatives - Benzoyl - Monocyclic benzene moiety - Benzenoid - Cyclic alcohol - Tertiary alcohol - Carboxylic acid ester - Secondary alcohol - Oxetane - Polyol - Ether - Dialkyl ether - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Alcohol - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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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