Compound Identification
SMILES
[Na+].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@@]12CO[C@@](O)([C@@H](O)C1)C(C)(C)[C@@H]2[C@H](C3)OS([O-])(=O)=O)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@]12CC[C@](O)(OC1)C(C)(C)C2=CC3
InChIKey
InChIKey=APZPLOXCOBKIMX-UOAFNBEJSA-M
Formula
C58H87NaO11S
Mass
1015.37
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
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Class
Prenol lipids
- Subclass Triterpenoids
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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
Triterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Triterpenoids
Alternative Parents
3-beta-hydroxysteroids 3-alpha-hydroxysteroids Sulfated steroids Naphthopyrans Naphthalenes Oxepanes Sulfuric acid monoesters Pyrans Oxanes Alkyl sulfates Tetrahydrofurans Secondary alcohols Hemiacetals Cyclic alcohols and derivatives Oxacyclic compounds Dialkyl ethers Organic sodium salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Triterpenoid - Sulfated steroid skeleton - 3-beta-hydroxysteroid - 3-alpha-hydroxysteroid - Hydroxysteroid - 2-hydroxysteroid - 3-hydroxysteroid - Steroid - Naphthopyran - Naphthalene - Oxepane - Sulfuric acid ester - Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - Pyran - Oxane - Tetrahydrofuran - Organic sulfuric acid or derivatives - Cyclic alcohol - Secondary alcohol - Hemiacetal - Oxacycle - Organic alkali metal salt - Organoheterocyclic compound - Ether - Dialkyl ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organooxygen compound - Alcohol - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.
External Descriptors
Not available