Structure Information
Structure

Compound Identification

SMILES

CC(=O)O[C@@]12CO[C@@H]1C[C@H](OC(=O)OC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)[C@]1(C)[C@@H]2[C@H](OCC2=CC=CC=C2)[C@]2(O)C[C@H](OC(=O)\C=C\C3=CC=C(C=C3)C(=O)C3=CC=CC=C3)C(C)=C([C@@H](OC(=O)OC(C3=CC=CC=C3)(C3=CC=CC=C3)C3=CC=CC=C3)C1=O)C2(C)C

InChIKey

InChIKey=YKOFZJLJJLZMOH-YPTGDKOJSA-N

Formula

C85H76O15

Mass

1337.528

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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 - Triphenyl compound - Benzophenone - Diphenylmethane - Aryl-phenylketone - Cinnamic acid or derivatives - Cinnamic acid ester - Benzyloxycarbonyl - Benzylether - Benzoyl - Styrene - Aryl ketone - Fatty acid ester - Dicarboxylic acid or derivatives - Fatty acyl - Monocyclic benzene moiety - Carbonic acid diester - Benzenoid - Tertiary alcohol - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Oxetane - Carboxylic acid ester - Carbonic acid derivative - Ketone - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Dialkyl ether - Ether - Organooxygen compound - Carbonyl group - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - 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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