Compound Identification
SMILES
CC1C2C(CC3C4CCC5CC(CCC5(CO)C4CCC23C)OS(O)(=O)=O)OC11CCC(C)CN1N=O
InChIKey
InChIKey=GADNFQWOBHHLNF-UHFFFAOYSA-N
Formula
C27H44N2O7S
Mass
540.72
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
Hydroxysteroids Azasteroids and derivatives Sulfated steroids Azaspirodecane derivatives Alkaloids and derivatives Nitrosopiperidines Sulfuric acid monoesters Alkyl sulfates Tetrahydrofurans Organic N-nitroso compounds Oxacyclic compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Spirosolane skeleton - Sulfated steroid skeleton - 19-hydroxysteroid - Hydroxysteroid - Azasteroid - Azaspirodecane - Alkaloid or derivatives - 1-nitrosopiperidine - Sulfuric acid ester - Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - Piperidine - Tetrahydrofuran - Organic sulfuric acid or derivatives - Organic n-nitroso compound - Organic nitroso compound - Oxacycle - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - Aliphatic 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