Compound Identification
SMILES
COC1=C(C)[C@@]2(C)C[C@@H](O)[C@H]3[C@@](C)(C[C@H](C)[C@]33[C@@]45C[C@](C)(C[C@H](OC(C)=O)[C@]4(C)[C@@H](OC(=O)C4=CC=CC=C4)[C@@H](OC(C)=O)[C@]3(C)O)C(=O)O5)C2CC1=O
InChIKey
InChIKey=OSZHXHXGXNDJCF-JCPQNSAZSA-N
Formula
C42H54O12
Mass
750.882
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
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Class
Prenol lipids
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Subclass
Terpene lactones
- Level 5 Diterpene lactones
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Subclass
Terpene lactones
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Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Terpene lactones
Intermediate Tree Nodes
Not available
Direct Parent
Diterpene lactones
Alternative Parents
Colensane and clerodane diterpenoids Tetracarboxylic acids and derivatives Benzoic acid esters Benzoyl derivatives Oxepanes Cyclohexenones Gamma butyrolactones Tetrahydrofurans Tertiary alcohols Secondary alcohols Cyclic alcohols and derivatives Carboxylic acid esters Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Clerodane diterpenoid - Diterpenoid - Diterpene lactone - Tetracarboxylic acid or derivatives - Benzoate ester - Benzoic acid or derivatives - Caprolactone - Benzoyl - Cyclohexenone - Oxepane - Benzenoid - Gamma butyrolactone - Monocyclic benzene moiety - Tetrahydrofuran - Tertiary alcohol - Cyclic alcohol - Cyclic ketone - Secondary alcohol - Lactone - Ketone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as diterpene lactones. These are diterpenoids containing a lactone moiety.
External Descriptors
Not available