Compound Identification
SMILES
[H]C1=C([H])C([H])=C([H])C([H])(CC)C([H])=C([H])C2([H])[O+]3C4([H])CC([H])(C)C([H])(CC([H])(C)O)OC34C([H])(C)C([H])(OC(=O)C([H])=C([H])C([H])(C)C([H])(O)C([H])(C)C(=O)C([H])(C)C([H])(O)C([H])(C)C(=O)C(C)(O)C([H])(O)C([H])(C)C1)C2([H])C
InChIKey
InChIKey=RFHCYXAYEROVAS-UHFFFAOYSA-N
Formula
C45H71O11
Mass
788.051
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Dioxepanes
- Subclass 1,3-dioxepanes
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Class
Dioxepanes
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Dioxepanes
Subclass
1,3-dioxepanes
Intermediate Tree Nodes
Not available
Direct Parent
1,3-dioxepanes
Alternative Parents
Oxepanes Ketals Acyloins Oxanes Tertiary alcohols Enoate esters Secondary alcohols Cyclic ketones Lactones Polyols Oxacyclic compounds Epoxides Monocarboxylic acids and derivatives Aldehydes Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
1,3-dioxepane - Ketal - Oxepane - Acyloin - Oxane - Tertiary alcohol - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Cyclic ketone - Carboxylic acid ester - Secondary alcohol - Ketone - Lactone - Acetal - Carboxylic acid derivative - Oxirane - Polyol - Oxacycle - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Carbonyl group - Alcohol - Aldehyde - Organooxygen compound - Hydrocarbon derivative - Organic cation - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1,3-dioxepanes. These are dioxepanes with the two ring oxygen atoms at position 1 and 3, respectively.
External Descriptors
Not available