Compound Identification
SMILES
C\C1=C/C=C(\C[C@H](O)\C(C)=C\CCC2(C)OC2CC1)[C@@](C)(O)CO
InChIKey
InChIKey=NWBHMZVDIALTDH-FLCWNNOQSA-N
Formula
C20H32O4
Mass
336.472
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
Subclass
Diterpenoids
- Level 5 Cembrane 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
Cembrane diterpenoids
Alternative Parents
Tertiary alcohols Secondary alcohols 1,2-diols Oxacyclic compounds Epoxides Dialkyl ethers Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Cembrane diterpenoid - Tertiary alcohol - Secondary alcohol - 1,2-diol - Oxacycle - Organoheterocyclic compound - Ether - Oxirane - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cembrane diterpenoids. These are diterpenoids with a structure based a cembrane skeleton, which is characterized by the presence of an isopropyl group at C-1 and by three symmetrically disposed methyl groups a the t C-4, -8 and -12 positions.
External Descriptors
Not available