Compound Identification
SMILES
C[C@@H](C1CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3C[C@H](O)[C@]12C)[C@H]1C[C@]2(C)O[C@]2(C)C(=O)O1
InChIKey
InChIKey=UZLXIIADBIXQHY-MDHGPUMZSA-N
Formula
C28H38O7
Mass
486.605
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
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Class
Steroids and steroid derivatives
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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
Oxepanes Delta valerolactones Cyclohexenones 1,4-dioxepanes Oxanes Tertiary alcohols Secondary alcohols Cyclic alcohols and derivatives Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Epoxides Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Withanolide-skeleton - 1,4-dioxepane - Delta valerolactone - Dioxepane - Delta_valerolactone - Oxepane - Cyclohexenone - Oxane - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Carboxylic acid ester - Ketone - Lactone - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Dialkyl ether - Oxirane - Ether - Monocarboxylic acid or derivatives - Alcohol - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - 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