Compound Identification
SMILES
C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1C[C@@H](OC(=O)c2ccccc2)C(Br)[C@@H](C1)OC(=O)c1ccccc1
InChIKey
InChIKey=ZFVVFEGMCRMVBV-DUCQOEBWSA-N
Formula
C40H51BrO5
Mass
691.747
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 Benzoic acid esters Benzoyl derivatives Tertiary alcohols Carboxylic acid esters Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Triterpenoid - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Monocyclic benzene moiety - Benzenoid - Tertiary alcohol - Carboxylic acid ester - Carboxylic acid derivative - Organobromide - Organohalogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - Alkyl bromide - Organooxygen compound - Aromatic homopolycyclic 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