Compound Identification
SMILES
CCCC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H](C[C@H]4O[C@@]324)[C@]23O[C@H]2OC(=O)C=C3)C1
InChIKey
InChIKey=UPJRAHLUSLORRM-BPFDFDKDSA-N
Formula
C28H38O6
Mass
470.606
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
-
Subclass
Steroid lactones
- Level 5 Bufanolides and derivatives
-
Subclass
Steroid lactones
-
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
Steroid esters Naphthopyrans Naphthalenes Enol ester epoxides Fatty acid esters Dihydropyranones Oxanes Dicarboxylic acids and derivatives Enoate esters Lactones Oxacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Bufanolide-skeleton - Steroid ester - Naphthopyran - Naphthalene - Enol ester epoxide - Dihydropyranone - Fatty acid ester - Dicarboxylic acid or derivatives - Fatty acyl - Oxane - Pyran - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Lactone - Carboxylic acid ester - Oxacycle - Ether - Oxirane - Dialkyl ether - Carboxylic acid derivative - Organoheterocyclic compound - Carbonyl group - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aliphatic 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