Structure Information
Structure

Compound Identification

SMILES

CC(=O)OC1C2=C(C)C(CC(O)(C(OC(=O)C3=CC=CC=C3)C3C4(COC4CC(O)C3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)C(O)C(NC(=O)C1=CC=C(Cl)C=C1)C1=CC=CC=C1

InChIKey

InChIKey=CFCVIJYLRRCBFF-UHFFFAOYSA-N

Formula

C47H50ClNO14

Mass

888.36

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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 - N-benzylbenzamide - Tetracarboxylic acid or derivatives - Beta amino acid or derivatives - Benzoate ester - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzamide - Benzoyl - Halobenzene - Fatty acid ester - Chlorobenzene - Alpha-acyloxy ketone - Aryl chloride - Monosaccharide - Monocyclic benzene moiety - Aryl halide - Fatty acyl - Benzenoid - Tertiary alcohol - Cyclic alcohol - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Secondary alcohol - Oxetane - Ketone - Ether - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Carbonyl group - Alcohol - Organic oxide - Organochloride - Hydrocarbon derivative - Organohalogen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organooxygen 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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