Compound Identification
SMILES
C[C@@]1(O)C[C@@]23C[C@@H](O)[C@@]4(O)[C@@H]([C@@H]5O[C@@H]5C4(C)C)[C@](C)(O)[C@@H]2CCC1[C@@H]3O
InChIKey
InChIKey=VUMZHZYKXUYIHM-LISCSQOCSA-N
Formula
C20H32O6
Mass
368.47
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
Subclass
Diterpenoids
- Level 5 Grayanoids
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Subclass
Diterpenoids
-
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
Grayanoids
Alternative Parents
Oxanes Tertiary alcohols Secondary alcohols Cyclic alcohols and derivatives Polyols Oxacyclic compounds Epoxides Dialkyl ethers Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Grayanoid - Oxane - Cyclic alcohol - Tertiary alcohol - Secondary alcohol - Dialkyl ether - Oxirane - Ether - Polyol - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Hydrocarbon derivative - Alcohol - Organic oxygen compound - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as grayanoids. These are diterpenoids containing a skeleton based on or derived from the ent-kaurane moiety. Grayanoids usually possess either one of the grayanane, the 2,4-seco-grayanane, the 9,10-seco-grayanane, the 1,5-seco-grayanane, the kalmane, or the leucothane skeleton. Some derivatives also include the 1,5-seco-kalmane skeleton.
External Descriptors
Not available