Compound Identification
SMILES
CC1C2C(CC3C4CC=C5CC(CC[C@]5(C)C4CC[C@]23C)OC(=O)C2=CC=CC=C2)OC11CCC(C)CN1C(C)=O
InChIKey
InChIKey=PXHHDOYCNJULEB-DRECWGGYSA-N
Formula
C36H49NO4
Mass
559.791
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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Class
Steroids and steroid derivatives
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Subclass
Steroidal alkaloids
- Level 5 Spirosolanes and derivatives
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Subclass
Steroidal alkaloids
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Class
Steroids and steroid derivatives
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Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Subclass
Steroidal alkaloids
Intermediate Tree Nodes
Not available
Direct Parent
Spirosolanes and derivatives
Alternative Parents
Azasteroids and derivatives Delta-5-steroids Azaspirodecane derivatives Benzoic acid esters Alkaloids and derivatives N-acylpiperidines Benzoyl derivatives Tertiary carboxylic acid amides Acetamides Oxolanes Tertiary amines Amino acids and derivatives Carboxylic acid esters Azacyclic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Spirosolane skeleton - Azasteroid - Delta-5-steroid - Azaspirodecane - Benzoate ester - Benzoic acid or derivatives - Alkaloid or derivatives - N-acyl-piperidine - Benzoyl - Monocyclic benzene moiety - Benzenoid - Piperidine - Acetamide - Oxolane - Tertiary carboxylic acid amide - Tertiary amine - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as spirosolanes and derivatives. These are steroidal alkaloids with a structure containing a spirosolane skeleton. Siporosolane is a polycyclic compound that is characterized by a 1-oxa-6-azaspiro[4.5]decane moiety where the oxolane ring is fused to a docosahydronaphth[2,1:4',5']indene ring system. Spirosolane arises from the conversion of a cholestane side-chain into a bicyclic system containing a piperidine and a tetrahydrofuran ring.
External Descriptors
Not available