Compound Identification
SMILES
C[C@@H]1C[C@H](OC(C)=O)[C@@]2(O)O[C@@H]3C[C@]4(C)[C@@H](C[C@@H]5O[C@@]55[C@@H]4[C@H](O)C(=O)[C@@]4(C)[C@H](CC[C@@]54O)C4=COC(=O)C=C4)C[C@H]3O[C@@H]2O1
InChIKey
InChIKey=SAZZQCDDXVHODK-UAOQGIRQSA-N
Formula
C32H40O12
Mass
616.66
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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Class
Steroids and steroid derivatives
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Subclass
Steroid lactones
- Level 5 Bufanolides 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
Bufanolides and derivatives
Alternative Parents
Pyranones and derivatives Oxepanes Oxanes 1,4-dioxanes Tertiary alcohols Heteroaromatic compounds Secondary alcohols Lactones Ketones Hemiacetals Cyclic alcohols and derivatives Carboxylic acid esters Polyols Oxacyclic compounds Monocarboxylic acids and derivatives Epoxides Dialkyl ethers Acetals Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Bufanolide-skeleton - Pyranone - Oxepane - Pyran - Oxane - Para-dioxane - Heteroaromatic compound - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Lactone - Ketone - Hemiacetal - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Polyol - Monocarboxylic acid or derivatives - Ether - Oxirane - Dialkyl ether - Carboxylic acid derivative - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as bufanolides and derivatives. These are steroid lactones containing a pyran-2-one moiety linked to the C17 atom of a cyclopenta[a]phenanthrene derivative.
External Descriptors
Not available