Compound Identification
SMILES
CC1OC(OC2CCC3(C)C4CCC5(C)C(CCC5(O)C4CCC33OC23)C2=COC(=O)C=C2)C(O)C(O)C1O
InChIKey
InChIKey=OUVQVFAGUXVNNT-UHFFFAOYSA-N
Formula
C30H42O9
Mass
546.657
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 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
Steroidal glycosides Hexoses O-glycosyl compounds Pyranones and derivatives Oxepanes Oxanes Tertiary alcohols Heteroaromatic compounds Secondary alcohols Cyclic alcohols and derivatives Lactones Acetals Polyols Oxacyclic compounds Epoxides Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Bufanolide-skeleton - Steroidal glycoside - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Oxepane - Pyranone - Monosaccharide - Oxane - Pyran - Cyclic alcohol - Heteroaromatic compound - Tertiary alcohol - Lactone - Secondary alcohol - Organoheterocyclic compound - Oxacycle - Ether - Oxirane - Dialkyl ether - Acetal - Polyol - Organooxygen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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