Compound Identification
SMILES
COC(=O)C[C@H]1C(C)(C)[C@H](OC(=O)\C=C\C2=CC=CC=C2)[C@@H]2C=C3[C@H](CC[C@@]4(C)[C@@H](OC(=O)C[C@@]34O)C3=COC=C3)[C@@]1(C)C2=O
InChIKey
InChIKey=CBKAQQJUMSGHNF-PDBDTYPQSA-N
Formula
C36H40O9
Mass
616.707
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
- Subclass Hydroxysteroids
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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
Hydroxysteroids
Intermediate Tree Nodes
Not available
Direct Parent
Hydroxysteroids
Alternative Parents
Naphthopyrans Cinnamic acid esters Naphthalenes Tricarboxylic acids and derivatives Styrenes Cyclohexenones Delta valerolactones Fatty acid esters Pyrans Oxanes Tertiary alcohols Enoate esters Methyl esters Furans Heteroaromatic compounds Cyclic alcohols and derivatives Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
10-hydroxysteroid - Hydroxysteroid - Naphthopyran - Cinnamic acid or derivatives - Cinnamic acid ester - Naphthalene - Tricarboxylic acid or derivatives - Styrene - Cyclohexenone - Delta valerolactone - Fatty acid ester - Delta_valerolactone - Monocyclic benzene moiety - Oxane - Fatty acyl - Pyran - Benzenoid - Cyclic alcohol - Heteroaromatic compound - Furan - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Tertiary alcohol - Ketone - Lactone - Carboxylic acid ester - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Organic oxygen compound - Hydrocarbon derivative - Alcohol - Carbonyl group - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as hydroxysteroids. These are compounds containing an steroid backbone, with at least one hydrogen substituted by a hydroxyl group.
External Descriptors
Not available