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(OC)=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(F)F

InChIKey

InChIKey=XTPBNGSYKJYAET-FAOBSCPNSA-N

Formula

C42H55F2NO16

Mass

867.89

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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 - M-methoxybenzoic acid or derivatives - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Methoxybenzene - Anisole - Phenoxy compound - Phenol ether - Alpha-acyloxy ketone - Fatty acid ester - Alkyl aryl ether - Monocyclic benzene moiety - Fatty acyl - Monosaccharide - Benzenoid - Carbamic acid ester - Tertiary alcohol - Cyclic alcohol - Carbonic acid derivative - Ketone - Carboxylic acid ester - Oxetane - Secondary alcohol - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Dialkyl ether - Ether - Organooxygen compound - Alkyl fluoride - Organic nitrogen compound - Carbonyl group - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Alkyl halide - Organic oxygen compound - Organonitrogen compound - Organofluoride - 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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