Structure Information
Structure

Compound Identification

SMILES

CC(=O)O[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@H](OC(C)=O)[C@@]3(C[C@H](OC(=O)\C=C\C4=CC=CC=C4)C(C)=C3[C@@H](OC(=O)C3=CC=CC=C3)[C@H](OC(C)=O)[C@]12C)C(C)(C)O

InChIKey

InChIKey=CDOYUNMEWKKPNW-VGCGTIBDSA-N

Formula

C44H50O14

Mass

802.87

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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

Hexacarboxylic acid or derivatives - 11(15->1)-abeotaxane diterpenoid - Cinnamic acid or derivatives - Cinnamic acid ester - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Styrene - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Alpha,beta-unsaturated carboxylic ester - Tertiary alcohol - Enoate ester - Carboxylic acid ester - Oxetane - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Dialkyl ether - Ether - Carbonyl group - Alcohol - Organic oxygen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - 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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