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Structure Information
Structure

Compound Identification

SMILES

CC(C)O[C@H]1[C@H](OC(C)C)[C@]2(C)CC[C@H](OC(=O)\C=C\C3=CC=CC=C3)C(=C)[C@H]2[C@H](OC(=O)C2=CC=CC=C2)[C@@H]2CC(=O)C(C)=C1C2(C)C

InChIKey

InChIKey=ZGOFLYZRBHAVAI-KHMUNGSWSA-N

Formula

C42H52O7

Mass

668.871

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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 - Cinnamic acid or derivatives - Cinnamic acid ester - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Styrene - Cyclohexenone - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Ketone - Carboxylic acid ester - Cyclic ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carbonyl group - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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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