Compound Identification
SMILES
CC(CCC1=C(C)[C@H]2[C@H](C[C@H]3[C@@H]4CCC5CC(CC[C@]5(C)[C@H]4CC[C@]23C)OC(=O)C2=CC(=CC(=C2)[N+]([O-])=O)[N+]([O-])=O)O1)COC(=O)C1=CC(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O
InChIKey
InChIKey=OCIGOHNLSHVZGM-GFTAXVRZSA-N
Formula
C41H48N4O13
Mass
804.85
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
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Class
Steroids and steroid derivatives
- Subclass Furostanes and derivatives
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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
Furostanes and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Furostanes and derivatives
Alternative Parents
Nitrobenzoic acids and derivatives Benzoic acid esters Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Dihydrofurans Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions Organonitrogen compounds Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Furostane-skeleton - Nitrobenzoate - Benzoate ester - Benzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - Monocyclic benzene moiety - Benzenoid - Dihydrofuran - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as furostanes and derivatives. These are compounds containing or derived from the steroid parent furostane, which is a 16b,22-epoxycholestane derivative, the extra ring being labeled as\nring E.
External Descriptors
Not available