Compound Identification
SMILES
[H]C(CC1([H])C(=C)CCC2([H])C1(C)CCC1([H])OC([H])(OCC21C)C1=CC=C(O)C=C1)=C1C(=O)OCC1([H])O
InChIKey
InChIKey=VRFBIBCMJPRCGB-UHFFFAOYSA-N
Formula
C27H34O6
Mass
454.563
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
1-hydroxy-2-unsubstituted benzenoids Gamma butyrolactones Benzene and substituted derivatives 1,3-dioxanes Oxolanes Enoate esters Secondary alcohols Oxacyclic compounds Monocarboxylic acids and derivatives Acetals Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Steroid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Meta-dioxane - Monocyclic benzene moiety - Gamma butyrolactone - Benzenoid - Oxolane - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Secondary alcohol - Lactone - Carboxylic acid ester - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Acetal - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Alcohol - 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