Compound Identification
SMILES
CC1(C)CC[C@@]2(CC=C3[C@]4(C)CCC5C(C)(C)[C@@H](OC(=O)C6=CC=C(O)C=C6)[C@@H](C[C@]5(C)[C@H]4CC[C@@]3(C)C2C1)OC(=O)C1=CC=C(O)C=C1)C(O)=O
InChIKey
InChIKey=XPEVLOSUULAUFH-QIHLFMPWSA-N
Formula
C44H56O8
Mass
712.924
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
Subclass
Sesterterpenoids
- Level 5 Scalarane sesterterpenoids
-
Subclass
Sesterterpenoids
-
Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Sesterterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Scalarane sesterterpenoids
Alternative Parents
p-Hydroxybenzoic acid alkyl esters Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Carboxylic acid esters Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Scalarane sesterterpenoid - P-hydroxybenzoic acid alkyl ester - P-hydroxybenzoic acid ester - Benzoate ester - Benzoic acid or derivatives - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as scalarane sesterterpenoids. These are sesterterpenoids with a structure based on the scalarane backbone. Scalarane is a tetracyclic compound, which is similar the homoandrostane with five methyl groups at the 4-, 4-, 8-, 17-, 17a-positions.
External Descriptors
Not available