Compound Identification
SMILES
C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)CO[C@H]2O[C@H]2CC[C@@]3(C)[C@H]4CC[C@@H]5[C@]6(C)C[C@H](O)[C@H]([C@@H]6[C@@H](O)C[C@]5(C)[C@@]4(C)CC(=O)[C@H]3C2(C)C)C(C)(C)O)[C@H](O)[C@H](O)[C@H]1O
InChIKey
InChIKey=PMIQHWRFLIHWFG-KDAHFQLKSA-N
Formula
C41H68O13
Mass
768.982
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
- Subclass Hopanoids
-
Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Hopanoids
Intermediate Tree Nodes
Not available
Direct Parent
Hopanoids
Alternative Parents
Triterpenoids Oxosteroids 16-beta-hydroxysteroids 14-alpha-methylsteroids 12-hydroxysteroids O-glycosyl compounds Disaccharides Oxanes Tertiary alcohols Secondary alcohols Ketones Cyclic alcohols and derivatives Polyols Oxacyclic compounds Acetals Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Triterpenoid - Hopane-skeleton - 20-hydroxysteroid - 14-alpha-methylsteroid - 16-hydroxysteroid - 16-beta-hydroxysteroid - 2-oxosteroid - Oxosteroid - Hydroxysteroid - 12-hydroxysteroid - Steroid - O-glycosyl compound - Glycosyl compound - Disaccharide - Oxane - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Ketone - Oxacycle - Organoheterocyclic compound - Polyol - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as hopanoids. These are terpenoids containing hopane skeleton(A'-Neogammacerane), a pentacyclic structure with four cyclohexane rings and one cyclopentane ring (and often, a side chain emerging from C30).
External Descriptors
Not available