Compound Identification
SMILES
Cl.[Ti+4].CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC[C@H](CCC(C)[C@H]1CCC2[C@@H]3CC=C4C[C@@H]([O-])CC[C@]4(C)C3CC[C@]12C)C(C)C.CC[C@H](CCC(C)[C@H]1CCC2[C@@H]3CC=C4C[C@@H]([O-])CC[C@]4(C)C3CC[C@]12C)C(C)C
InChIKey
InChIKey=VFPVIXPCEIBOPO-NNPGGIQQSA-N
Formula
C78H117ClO6Ti
Mass
1234.11
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
- Subclass Stigmastanes and derivatives
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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
Stigmastanes and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Stigmastanes and derivatives
Alternative Parents
Vitamin D and derivatives Triterpenoids C24-propyl sterols and derivatives Delta-5-steroids Butyrophenones Benzoyl derivatives Aryl ketones Organic transition metal salts Organic metal halides Enolates Organic zwitterions Organic oxides Hydrochlorides Hydrocarbon derivatives Alkoxides
Molecular Framework
Not available
Substituents
Triterpenoid - Stigmastane-skeleton - C24-propyl-sterol-skeleton - Delta-5-steroid - Butyrophenone - Aryl ketone - Benzoyl - Benzenoid - Monocyclic benzene moiety - Ketone - Organic metal halide - Organic transition metal salt - Enolate - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Hydrochloride - Organic salt - Organic zwitterion - Alkoxide - Organooxygen compound - Carbonyl group - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as stigmastanes and derivatives. These are sterol lipids with a structure based on the stigmastane skeleton, which consists of a cholestane moiety bearing an ethyl group at the carbon atom C24.
External Descriptors
Not available