Structure Information
Structure

Compound Identification

SMILES

[H][C@]1(CC[C@@]2(O)[C@]3([H])CC[C@]4([H])C[C@@]([H])(CC[C@]4(C)[C@]3([H])[C@]([H])(O)C(=O)[C@@]12C)OC(=O)CCCCCCC(O)=O)C1=COC(=O)C=C1

InChIKey

InChIKey=LYCCSNYEMCXNRM-ZDRZCFAJSA-N

Formula

C32H44O9

Mass

572.695

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Subclass

Steroid lactones

Intermediate Tree Nodes

Not available

Direct Parent

Bufanolides and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Bufanolide-skeleton - Steroid ester - 14-hydroxysteroid - Hydroxysteroid - 12-oxosteroid - Oxosteroid - 11-alpha-hydroxysteroid - 11-hydroxysteroid - Medium-chain fatty acid - Pyranone - Heterocyclic fatty acid - Hydroxy fatty acid - Fatty acyl - Fatty acid - Pyran - Dicarboxylic acid or derivatives - Heteroaromatic compound - Tertiary alcohol - Cyclic alcohol - Carboxylic acid ester - Secondary alcohol - Ketone - Lactone - Carboxylic acid - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Alcohol - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as bufanolides and derivatives. These are steroid lactones containing a pyran-2-one moiety linked to the C17 atom of a cyclopenta[a]phenanthrene derivative.

External Descriptors

Not available

Previous Back Next