Compound Identification
SMILES
COC(=O)CCCCCCC(=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)C2=COC(=O)C=C2)C1
InChIKey
InChIKey=BBGVAHZTKNHGKF-NCNSHVOASA-N
Formula
C33H46O7
Mass
554.724
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
Steroid esters Naphthopyrans Naphthalenes Pyranones and derivatives Fatty acid methyl esters Oxanes Dicarboxylic acids and derivatives Heteroaromatic compounds Methyl esters Lactones Epoxides Oxacyclic compounds Dialkyl ethers Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Bufanolide-skeleton - Steroid ester - Naphthopyran - Naphthalene - Fatty acid ester - Pyranone - Fatty acid methyl ester - Dicarboxylic acid or derivatives - Oxane - Pyran - Fatty acyl - Heteroaromatic compound - Methyl ester - Lactone - Carboxylic acid ester - Oxacycle - Ether - Oxirane - Dialkyl ether - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - 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