Compound Identification
SMILES
CC(C)(C)OC(=O)N1C(C(OC1(C)C)C(=O)OC1COC(=O)\C1=C/C[C@@H]1C(=C)CCC2[C@@]1(C)CC[C@H]1OC(C)(C)OC[C@@]21C)C1=CC=CC=C1
InChIKey
InChIKey=LJRKZDMVQYPTPB-JGKRNCPNSA-N
Formula
C40H55NO9
Mass
693.878
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Steroids and steroid derivatives
Alternative Parents
Ketals 1,3-dioxanes Benzene and substituted derivatives Gamma butyrolactones Dicarboxylic acids and derivatives Oxolanes Oxazolidines Carbamate esters Enoate esters Oxacyclic compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Steroid - Ketal - Meta-dioxane - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Gamma butyrolactone - Benzenoid - Oxazolidine - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carbamic acid ester - Oxolane - Carboxylic acid ester - Lactone - Oxacycle - Carboxylic acid derivative - Azacycle - Acetal - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as steroids and steroid derivatives. These are compounds based on the cyclopenta[a]phenanthrene carbon skeleton, partially or completely hydrogenated; there are usually methyl groups at C-10 and C-13, and often an alkyl group at C-17. By extension, one or more bond scissions, ring expansions and/or ring contractions of the skeleton may have occurred.
External Descriptors
Not available