Compound Identification
SMILES
[H][C@@]12C[C@@]3([H])[C@]4([H])C[C@]([H])(O)[C@]([H])([C@@](C)(O)[C@@]5([H])C[C@@]([H])(C)[C@@]([H])(C)C(=O)O5)[C@@]4(C)CC[C@]3([H])[C@@]3(C)C(=O)C=C[C@]([H])(O)[C@@]13O2
InChIKey
InChIKey=CZKZWDJWVZTWCF-XNPJKQMDSA-N
Formula
C28H40O7
Mass
488.621
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
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
Prostaglandins and related compounds 5,6-epoxysteroids Cyclohexenones Delta valerolactones Oxepanes Oxanes Tertiary alcohols Carboxylic acid esters Cyclic alcohols and derivatives Secondary alcohols Oxacyclic compounds Monocarboxylic acids and derivatives Epoxides Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Withanolide-skeleton - Prostaglandin skeleton - Eicosanoid - 5,6-epoxysteroid - Cyclohexenone - Delta valerolactone - Oxepane - Delta_valerolactone - Fatty acyl - Oxane - Cyclic alcohol - Tertiary alcohol - Carboxylic acid ester - Ketone - Secondary alcohol - Lactone - Carboxylic acid derivative - Dialkyl ether - Oxacycle - Oxirane - Ether - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carbonyl group - Alcohol - Organic oxygen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - 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