Compound Identification
SMILES
C[C@H](C[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C)C(C)(C)O
InChIKey
InChIKey=MQWJGLSZBHVGLN-VBSSPFTJSA-N
Formula
C34H56O12
Mass
656.81
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Subclass
Bile acids, alcohols and derivatives
Intermediate Tree Nodes
Hydroxy bile acids, alcohols and derivatives
Direct Parent
Pentahydroxy bile acids, alcohols and derivatives
Alternative Parents
Diterpene glycosides Ergostane steroids Steroidal glycosides Ecdysteroids 14-hydroxysteroids 6-oxosteroids Delta-7-steroids Diterpenoids O-glycosyl compounds Cyclohexenones Oxanes Monosaccharides Tertiary alcohols Cyclic alcohols and derivatives Secondary alcohols Oxacyclic compounds Polyols Acetals Organic oxides Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Diterpene glycoside - Pentahydroxy bile acid, alcohol, or derivatives - Ergostane-skeleton - Steroidal glycoside - Ecdysteroid - 25-hydroxysteroid - 22-hydroxysteroid - 20-hydroxysteroid - Diterpenoid - Hydroxysteroid - Oxosteroid - 6-oxosteroid - 2-hydroxysteroid - 14-hydroxysteroid - Delta-7-steroid - Terpene glycoside - Glycosyl compound - O-glycosyl compound - Cyclohexenone - Oxane - Monosaccharide - Cyclic alcohol - Tertiary alcohol - Secondary alcohol - Ketone - Polyol - Organoheterocyclic compound - Oxacycle - Acetal - Primary alcohol - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organooxygen compound - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pentahydroxy bile acids, alcohols and derivatives. These are bile acids, alcohols or derivatives bearing five hydroxyl groups.
External Descriptors
Not available