Ganoderic acid G - ≥98% , CAS No.98665-22-6

CAS: 98665-22-6 Cat. No.: G664331 분자식: C₃₀H₄₄O₈ 분자량: 532.67

등급 & 순도 ≥98%

Synonyms

(3beta,7beta,12beta)-3,7,12-Trihydroxy-11,15,23-trioxo-lanost-8-en-26-oic acid

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

개요

Ganoderic acid G is a triterpene isolated from the surface part of gills of Ganoderma lucidum.

사양

동의어

(3beta,7beta,12beta)-3,7,12-Trihydroxy-11,15,23-trioxo-lanost-8-en-26-oic acid

사양 및 순도

≥98%

보관 조건

Store at 2-8°C,Protected from light

배송

Wet ice

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순수함

≥98%

이름과 식별자

Pubchem Sid

528773095

정식 스마일

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

IUPAC Name

2-methyl-4-oxo-6-(3,7,12-trihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl)heptanoic acid

InChIKey

BPJPBLZKOVIJQD-UHFFFAOYSA-N

INCHI

1S/C30H44O8/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/h14-15,17-20,25,32-33,36H,8-13H2,1-7H3,(H,37,38)

이성체 SMILES

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

대체 CAS

98665-22-6

분자량

532.67

Taxonomic Classification

Taxonomy Tree

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

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

화학 및 물리적 특성

• 용해성: DMSO 100 mg/mL
• 감도: Light sensitive
• 분자량: 532.700 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 532.304 Da
• Monoisotopic Mass: 532.304 Da
• Topological Polar Surface Area: 149.000 Ų
• Heavy Atom Count: 38
• Formal Charge: 0
• Complexity: 1110.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 10
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1