Compound Identification
SMILES
CC12CCC3C(CCC45CC6CC(OC(C)(O6)O4)C35C)C1(O)CC(O)C2C1=COC(=O)C=C1
InChIKey
InChIKey=OBJNGSFPVMJDQZ-UHFFFAOYSA-N
Formula
C26H34O7
Mass
458.551
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
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 Ortho esters Carboxylic acid orthoesters 1,3-dioxanes Tertiary alcohols Heteroaromatic compounds Secondary alcohols Lactones Cyclic alcohols and derivatives Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Bufanolide-skeleton - Carboxylic acid orthoester - Ortho ester - Pyranone - Meta-dioxane - Pyran - Cyclic alcohol - Heteroaromatic compound - Tertiary alcohol - Orthocarboxylic acid derivative - Lactone - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Alcohol - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - 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