Compound Identification
SMILES
CC1C2C(CC3[C@H]4CC=C5C[C@@H](CC[C@@]5(C)C4CC[C@@]23C)OC(C)=O)O[C@]11CCC(C)CN1
InChIKey
InChIKey=MCQNPWNREVNWDQ-CJHCULCJSA-N
Formula
C29H45NO3
Mass
455.683
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
-
Subclass
Steroidal alkaloids
- Level 5 Spirosolanes and derivatives
-
Subclass
Steroidal alkaloids
-
Class
Steroids and steroid derivatives
-
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
Steroid esters Azasteroids and derivatives Delta-5-steroids Azaspirodecane derivatives Alkaloids and derivatives Piperidines Tetrahydrofurans Amino acids and derivatives Carboxylic acid esters Hemiaminals Monocarboxylic acids and derivatives Oxacyclic compounds Dialkylamines Azacyclic compounds Carbonyl compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Spirosolane skeleton - Steroid ester - Azasteroid - Delta-5-steroid - Azaspirodecane - Alkaloid or derivatives - Piperidine - Tetrahydrofuran - Amino acid or derivatives - Carboxylic acid ester - Hemiaminal - Organoheterocyclic compound - Secondary amine - Azacycle - Oxacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Secondary aliphatic amine - Hydrocarbon derivative - Organopnictogen compound - Amine - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organic oxide - 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