Compound Identification
SMILES
C[C@H](CC[C@@H]1O[C@H](C[C@@H]2C[C@@]1(C)OC2(C)C)[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)C[C@H](OS(O)(=O)=O)[C@H](O)C[C@@H]1[C@H](C3)OS(O)(=O)=O)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)C[C@H](OS(O)(=O)=O)[C@H](O)C[C@@H]1[C@H](C3)OS(O)(=O)=O
InChIKey
InChIKey=IHWQEACDZAJALS-JXOWOKAQSA-N
Formula
C54H86O20S4
Mass
1183.5
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
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Class
Prenol lipids
- Subclass Sesquaterpenoids
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Class
Prenol lipids
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Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Sesquaterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Sesquaterpenoids
Alternative Parents
Vitamin D and derivatives Stigmastanes and derivatives Monohydroxy bile acids, alcohols and derivatives 3-beta-hydroxysteroids Sulfated steroids Oxepanes Sulfuric acid monoesters Alkyl sulfates Tetrahydrofurans Secondary alcohols Cyclic alcohols and derivatives Oxacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Sesquaterpenoid - Stigmastane-skeleton - Monohydroxy bile acid, alcohol, or derivatives - Hydroxy bile acid, alcohol, or derivatives - Bile acid, alcohol, or derivatives - Sulfated steroid skeleton - 3-beta-hydroxysteroid - Hydroxysteroid - 3-hydroxysteroid - Steroid - Oxepane - Sulfuric acid ester - Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - Tetrahydrofuran - Organic sulfuric acid or derivatives - Cyclic alcohol - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as sesquaterpenoids. These are terpenoids with at least 7 consecutive isoprene units.
External Descriptors
Not available