Ganoderic Acid C1 - ≥95% , CAS No.95311-97-0

CAS: 95311-97-0 Cat. No.: G1353615 PubChem CID: 471004

グレード＆純度 ≥95%

Storage

Room temperature

Shipped In

Normal

仕様

仕様と純度

≥95%

保管条件

Room temperature

入荷

Normal

純度

≥95%

名前と識別子

カノニカル・スマイル

CC(CC(=O)CC(C)C(=O)O)C1CC(=O)C2(C1(CC(=O)C3=C2C(CC4C3(CCC(=O)C4(C)C)C)O)C)C

IUPAC Name

(2R,6R)-6-[(5R,7S,10S,13R,14R,17R)-7-hydroxy-4,4,10,13,14-pentamethyl-3,11,15-trioxo-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid

InChIKey

YTVGSCZIHGRVAV-NJNFCIENSA-N

INCHI

1S/C30H42O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h15-16,18-19,21,32H,8-14H2,1-7H3,(H,36,37)/t15-,16-,18-,19+,21+,28+,29-,30+/m1/s1

異性体SMILES

C[C@H](CC(=O)C[C@@H](C)C(=O)O)[C@H]1CC(=O)[C@@]2([C@@]1(CC(=O)C3=C2[C@H](C[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)O)C)C

代替CAS番号

108340-60-9,95311-97-0

PubChem CID

471004

MeSH用語

ganoderic acid D

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: Prenol lipids
• Subclass: Triterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Triterpenoids
• Alternative Parents: Monohydroxy bile acids, alcohols and derivatives Steroid acids 7-alpha-hydroxysteroids 3-oxo-5-alpha-steroids 14-alpha-methylsteroids 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 - Hydroxysteroid - 11-oxosteroid - 14-alpha-methylsteroid - 15-oxosteroid - Oxosteroid - 7-alpha-hydroxysteroid - 7-hydroxysteroid - 3-oxo-5-alpha-steroid - Steroid - Medium-chain keto acid - Gamma-keto acid - Cyclohexenone - Keto acid - Cyclic ketone - Ketone - Secondary alcohol - Carboxylic acid - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Carbonyl group - Alcohol - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Aliphatic homopolycyclic compound
• 説明: 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

化学的性質と物理的性質

• 分子量: 514.600 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 514.293 Da
• Monoisotopic Mass: 514.293 Da
• Topological Polar Surface Area: 126.000 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 1110.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 8
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1