Compound Identification
SMILES
CCN1[C@@H]2[C@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@@](C[C@@H]6OC)(OC)[C@@]2(OC)[C@@H](OC)[C@@H]3[C@@]2(COC)CC[C@@H]4O[C@H]12
InChIKey
InChIKey=PJNUMSYPJHNPIK-VGGFNCANSA-N
Formula
C27H43NO7
Mass
493.641
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
Quinolidines Alkaloids and derivatives Azepanes Piperidines Oxanes 1,3-oxazinanes Hemiaminals Oxacyclic compounds Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Aconitane-type diterpenoid alkaloid - Quinolidine - Alkaloid or derivatives - Azepane - 1,3-oxazinane - Oxane - Oxazinane - Piperidine - Hemiaminal - Ether - Dialkyl ether - Organoheterocyclic compound - Oxacycle - Azacycle - Organic oxygen compound - Organic nitrogen compound - Amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Aliphatic 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