Compound Identification
SMILES
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](CC[C@]34C)OC(=O)CBr)C1(O)CC[C@@H]2C1=CC(=O)OC1
InChIKey
InChIKey=NINRIIHMWQEVEA-NHODDBOBSA-N
Formula
C25H35BrO5
Mass
495.454
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
- Subclass Vitamin D and derivatives
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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
Vitamin D and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Vitamin D and derivatives
Alternative Parents
Triterpenoids Cardenolides and derivatives Steroid esters 14-hydroxysteroids Terpene lactones Dicarboxylic acids and derivatives Butenolides Tertiary alcohols Enoate esters Alpha-halocarboxylic acid derivatives Lactones Cyclic alcohols and derivatives Oxacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Polycyclic triterpenoid - Triterpenoid - Cardanolide-skeleton - Steroid lactone - Steroid ester - Hydroxysteroid - 14-hydroxysteroid - Terpene lactone - Dicarboxylic acid or derivatives - 2-furanone - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary alcohol - Dihydrofuran - Cyclic alcohol - Alpha-halocarboxylic acid or derivatives - Alpha-halocarboxylic acid derivative - Lactone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Alcohol - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as vitamin d and derivatives. These are compounds containing a secosteroid backbone, usually secoergostane or secocholestane.
External Descriptors
Not available