Compound Identification
SMILES
CC(=O)[C@@]12O[C@@H]1C[C@H]1[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]21C
InChIKey
InChIKey=MSGQPOBWYUXEOQ-JEKXPXOESA-N
Formula
C21H32O3
Mass
332.484
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 Gluco/mineralocorticoids, progestogins and derivatives 20-oxosteroids 3-beta-hydroxysteroids Naphthopyrans Naphthalenes Pyrans Oxanes Secondary alcohols Ketones Cyclic alcohols and derivatives Oxacyclic compounds Epoxides Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Polycyclic triterpenoid - Triterpenoid - Progestogin-skeleton - Pregnane-skeleton - 20-oxosteroid - 3-beta-hydroxysteroid - Oxosteroid - Hydroxysteroid - 3-hydroxysteroid - Naphthopyran - Naphthalene - Pyran - Oxane - Cyclic alcohol - Secondary alcohol - Ketone - Oxacycle - Organoheterocyclic compound - Ether - Oxirane - Dialkyl ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - 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