Compound Identification
SMILES
COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2C3CC[C@@H]4CC5CC[C@]4(C)[C@@]3(O5)[C@H](Br)[C@@H](Br)[C@]12C
InChIKey
InChIKey=XRRHDGKBIMJRKD-VDDDDLAASA-N
Formula
C25H38Br2O3
Mass
546.384
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
Bile acids, alcohols and derivatives Thromboxanes Halogenated steroids Diterpenoids Fatty acid methyl esters Oxanes Methyl esters Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Bile acid, alcohol, or derivatives - Thromboxane - Eicosanoid - Diterpenoid - Halo-steroid - 12-halo-steroid - 11-halo-steroid - Fatty acid methyl ester - Fatty acid ester - Fatty acyl - Oxane - Methyl ester - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - 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