Compound Identification
SMILES
[Li][C@](C)(C1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C)[C@H]1CC(C)=C(CC)C(=O)O1
InChIKey
InChIKey=NZDOHCKEWJEZOE-VIZOGNGCSA-N
Formula
C29H39LiO3
Mass
442.57
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
-
Subclass
Steroid lactones
- Level 5 Withanolides and derivatives
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Subclass
Steroid lactones
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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
Steroid lactones
Intermediate Tree Nodes
Not available
Direct Parent
Withanolides and derivatives
Alternative Parents
3-oxo delta-1,4-steroids Delta-1,4-steroids Dihydropyranones Enoate esters Lactones Cyclic ketones Oxacyclic compounds Organic alkali metal salts Monocarboxylic acids and derivatives Organolithium compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Withanolide-skeleton - Oxosteroid - 3-oxosteroid - 3-oxo-delta-1,4-steroid - Delta-1,4-steroid - Dihydropyranone - Pyran - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Cyclic ketone - Lactone - Ketone - Carboxylic acid ester - Oxacycle - Organic alkali metal salt - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Organometallic compound - Organolithium compound - Organic alkali metal moeity - Carbonyl group - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as withanolides and derivatives. These are c28 steroids structurally characterized by an ergostane skeleton usually functionalized at carbons 1, 22 and 26 to form a lactone ring.
External Descriptors
Not available