Compound Identification
SMILES
CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@@]6(OC(=O)OC(C)(C)C)[C@H](OC(=O)C7=CC=C(OC)C=C7)[C@@H]5[C@@](C[C@@H]6OC)(OC(=O)OC(C)(C)C)[C@@H]([C@H](OC)[C@H]23)[C@@H]14
InChIKey
InChIKey=UVROEORVZWDORE-OJGOFKPPSA-N
Formula
C43H63NO13
Mass
801.971
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
- 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
Aconitane-type diterpenoid alkaloids
Alternative Parents
P-methoxybenzoic acids and derivatives Quinolidines Benzoic acid esters Alkaloids and derivatives Anisoles Phenoxy compounds Methoxybenzenes Benzoyl derivatives Alkyl aryl ethers Azepanes Carbonic acid diesters Piperidines Trialkylamines Amino acids and derivatives Carboxylic acid esters Azacyclic compounds Dialkyl ethers Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aconitane-type diterpenoid alkaloid - P-methoxybenzoic acid or derivatives - Benzoate ester - Quinolidine - Alkaloid or derivatives - Benzoic acid or derivatives - Methoxybenzene - Phenoxy compound - Anisole - Benzoyl - Phenol ether - Azepane - Alkyl aryl ether - Monocyclic benzene moiety - Carbonic acid diester - Benzenoid - Piperidine - Carboxylic acid ester - Tertiary amine - Carbonic acid derivative - Tertiary aliphatic amine - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Dialkyl ether - Organooxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as aconitane-type diterpenoid alkaloids. These are alkaloid diterpenoids with a structure based on the hexacyclic aconitane skeleton. These compounds have no oxygen functionality at the C7 atom.
External Descriptors
Not available