Structure Information
Structure

Compound Identification

SMILES

CC(=O)O[C@H]1C[C@H](O)C(=C)[C@H]2[C@H](OC(C)=O)[C@@]3(C[C@H](O)C(C)=C3[C@@H](O)[C@H](OC(=O)C3=CC=CC=C3)[C@]12C)C(C)(C)O

InChIKey

InChIKey=ZJRNRUMUBVLZKF-SRXXEXFGSA-N

Formula

C31H40O10

Mass

572.651

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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

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