Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=MCVXUNGFPRKSBG-SACIWCPGSA-N

Formula

C44H58ClNO15

Mass

876.39

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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 - Tetracarboxylic acid or derivatives - Benzoate ester - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoyl - Halobenzene - Fatty acid ester - Chlorobenzene - Alpha-acyloxy ketone - Monosaccharide - Aryl chloride - Aryl halide - Benzenoid - Fatty acyl - Monocyclic benzene moiety - Cyclic alcohol - Carbamic acid ester - Tertiary alcohol - Carboxylic acid ester - Secondary alcohol - Oxetane - Ketone - Carbonic acid derivative - Oxacycle - Carboxylic acid derivative - Ether - Dialkyl ether - Organoheterocyclic compound - Organochloride - Alcohol - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organopnictogen compound - Organohalogen 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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