Compound Identification
SMILES
CC(C)CCCC(C)[C@]12CC[C@@]3(O1)[C@@H]1CCC4=CC(=O)C=C[C@]4(C)[C@H]1C[C@H](OC(C)=O)[C@]3(C)O2
InChIKey
InChIKey=ZZVFELKCOKHBRK-IEEKRVCOSA-N
Formula
C29H42O5
Mass
470.65
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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Class
Steroids and steroid derivatives
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Subclass
Oxosteroids
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Level 5
3-oxosteroids
- Level 6 3-oxo delta-1,4-steroids
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Level 5
3-oxosteroids
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Subclass
Oxosteroids
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Class
Steroids and steroid derivatives
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Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Subclass
Oxosteroids
Intermediate Tree Nodes
3-oxosteroids
Direct Parent
3-oxo delta-1,4-steroids
Alternative Parents
Delta-1,4-steroids Naphthopyrans Naphthalenes Ketals Pyrans Oxanes Tetrahydrofurans 1,3-dioxolanes Cyclic ketones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
3-oxo-delta-1,4-steroid - Delta-1,4-steroid - Naphthopyran - Naphthalene - Ketal - Oxane - Pyran - Meta-dioxolane - Tetrahydrofuran - Carboxylic acid ester - Ketone - Cyclic ketone - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Acetal - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organooxygen compound - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 3-oxo delta-1,4-steroids. These are 3-oxo steroids containing a double bond between positions 1 and 2, as well as positions 4 and 5.
External Descriptors
Not available