Compound Identification
SMILES
CC(=O)OC[C@@]1(C)[C@@H](CC[C@@]2(C)[C@@H]3CC[C@H]4C[C@]3(CC4=C)[C@H](CC12)OC(=O)C1=CC=C(C=C1)[N+]([O-])=O)OC(=O)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=ZTHGQCUCHGNHLF-NWJSURDKSA-N
Formula
C36H40N2O10
Mass
660.72
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
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Class
Prenol lipids
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Subclass
Diterpenoids
- Level 5 Kaurane diterpenoids
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Subclass
Diterpenoids
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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
Diterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Kaurane diterpenoids
Alternative Parents
Steroids and steroid derivatives Nitrobenzoic acids and derivatives Benzoic acid esters Tricarboxylic acids and derivatives Nitrobenzenes Nitroaromatic compounds Benzoyl derivatives Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Kaurane diterpenoid - Steroid - Nitrobenzoate - Benzoate ester - Benzoic acid or derivatives - Nitrobenzene - Tricarboxylic acid or derivatives - Nitroaromatic compound - Benzoyl - Monocyclic benzene moiety - Benzenoid - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Organic oxoazanium - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as kaurane diterpenoids. These are diterpene alkaloids with a structure that is based on the kaurane skeleton. Kaurane is a tetracyclic compound that arises by cyclisation of a pimarane precursor followed by rearrangement. It possesses a [3,2,1]-bicyclic ring system with C15-C16 bridge connected to C13, forming the five-membered ring D.
External Descriptors
Not available