Compound Identification
SMILES
CC12CC(OC(=O)[C@]1(C)O)[C@H](C2)[C@]1(O)CC[C@H]2[C@@H]3C[C@H]4O[C@]44[C@@H](O)C=CC(=O)[C@]4(C)[C@H]3CC[C@]12C
InChIKey
InChIKey=FKQUQCYOBZEPTK-SXUGLQBDSA-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
Vitamin D and derivatives Bile acids, alcohols and derivatives Retinoid esters Steroid esters Diterpene lactones 5,6-epoxysteroids Diterpenoids Fatty alcohol esters Oxepanes Delta valerolactones Cyclohexenones Oxanes Tertiary alcohols Enones Acryloyl compounds 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 - Bile acid, alcohol, or derivatives - Retinoid ester - Steroid ester - Diterpenoid - Diterpene lactone - 5,6-epoxysteroid - Fatty alcohol ester - Caprolactone - Cyclohexenone - Oxepane - Delta_valerolactone - Delta valerolactone - Oxane - Alpha,beta-unsaturated ketone - Tertiary alcohol - Enone - Cyclic alcohol - Acryloyl-group - Secondary alcohol - Lactone - Ketone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Ether - Oxirane - Dialkyl ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Alcohol - 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