Deacetyl ganoderic acid F - Moligand™,≥98% , CAS No.100665-44-9

CAS: 100665-44-9 Cat. No.: D664282 Molecular Weight: 528.63

GRADE & PURITY Moligand™, ≥98%

Synonyms

(12beta)-12-Hydroxy-3,7,11,15,23-pentaoxolanost-8-en-26-oic acid

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

Overview

Deacetyl Ganoderic Acid F is a 7-anostane triterpenoid from Ganoderma lucidum

Specifications

Synonyms

(12beta)-12-Hydroxy-3, 7, 11, 15, 23-pentaoxolanost-8-en-26-oic acid

Specifications & Purity

Moligand™, ≥98%

Storage

Store at 2-8°C, Protected from light, Desiccated

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC(CC(=O)CC(C)C(=O)O)C1CC(=O)C2(C1(C(C(=O)C3=C2C(=O)CC4C3(CCC(=O)C4(C)C)C)O)C)C
• IUPAC Name: 6-(12-hydroxy-4,4,10,13,14-pentamethyl-3,7,11,15-tetraoxo-2,5,6,12,16,17-hexahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methyl-4-oxoheptanoic acid
• InChIKey: MNXGGTWKTCLFDT-UHFFFAOYSA-N
• INCHI: 1S/C30H40O8/c1-14(10-16(31)11-15(2)26(37)38)17-12-21(34)30(7)22-18(32)13-19-27(3,4)20(33)8-9-28(19,5)23(22)24(35)25(36)29(17,30)6/h14-15,17,19,25,36H,8-13H2,1-7H3,(H,37,38)
• Isomeric SMILES: CC(CC(=O)CC(C)C(=O)O)C1CC(=O)C2(C1(C(C(=O)C3=C2C(=O)CC4C3(CCC(=O)C4(C)C)C)O)C)C
• Molecular Weight: 528.63

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Prenol lipids
      • Subclass Triterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Prenol lipids
• Subclass: Triterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Triterpenoids
• Alternative Parents: Monohydroxy bile acids, alcohols and derivatives Steroid acids 7-oxosteroids 3-oxosteroids 12-hydroxysteroids 11-oxosteroids Medium-chain keto acids and derivatives Gamma-keto acids and derivatives Cyclohexenones Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Triterpenoid - Hydroxy bile acid, alcohol, or derivatives - Monohydroxy bile acid, alcohol, or derivatives - 23-oxosteroid - Bile acid, alcohol, or derivatives - Steroid acid - 3-oxosteroid - 12-hydroxysteroid - Hydroxysteroid - 7-oxosteroid - 11-oxosteroid - Oxosteroid - 15-oxosteroid - Steroid - Medium-chain keto acid - Gamma-keto acid - Cyclohexenone - Keto acid - Secondary alcohol - Cyclic ketone - Ketone - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Carbonyl group - Organic oxide - Alcohol - Aliphatic homopolycyclic 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

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: light sensitive，Moisture sensitive
• Molecular Weight: 528.600 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 528.272 Da
• Monoisotopic Mass: 528.272 Da
• Topological Polar Surface Area: 143.000 Ų
• Heavy Atom Count: 38
• Formal Charge: 0
• Complexity: 1190.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 8
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1