Compound Identification
SMILES
C[C@]12CCC[C@@](C)([C@@H]1CC[C@]1(C)[C@@H]2CCC2=C1C(=O)OC2=O)C(O)=O
InChIKey
InChIKey=XNLXNELSKNEJPV-ATPQOZSISA-N
Formula
C20H26O5
Mass
346.423
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
-
Subclass
Steroid acids
- Level 5 4-carboxy steroids
-
Subclass
Steroid acids
-
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 acids
Intermediate Tree Nodes
Not available
Direct Parent
4-carboxy steroids
Alternative Parents
Isocopalane and spongiane diterpenoids 17-oxosteroids Oxasteroids and derivatives Tricarboxylic acids and derivatives Butenolides Carboxylic acid anhydrides Lactones Oxacyclic compounds Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Diterpenoid - Spongiane diterpenoid - 4-carboxy steroid - Oxosteroid - 17-oxosteroid - 16-oxasteroid - Tricarboxylic acid or derivatives - 2-furanone - Carboxylic acid anhydride - Dihydrofuran - Lactone - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organooxygen compound - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 4-carboxy steroids. These are steroid compounds that carry a carboxyl group at the C4-atom of the steroid backbone.
External Descriptors
Not available