Ginsenoside Ra3 - Moligand™, ≥97% , CAS No.90985-77-6

CAS: 90985-77-6 Cat. No.: G664341 分子式: C₅₉H₁₀₀O₂₇ 分子量: 1241.41

GRADE & PURITY Moligand™, ≥97%

Storage

Protected from light,Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

概要

Ginsenoside Ra3, isolated from Panax ginseng, possesses anti-cancer activity.

Specifications

仕様と純度

Moligand™, ≥97%

保管条件

Protected from light,Store at -20°C,Desiccated

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

純度

≥97%

名前と識別子

カノニカル・スマイル

CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)C)C)O)C)OC7C(C(C(C(O7)COC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)O)O)O)O)O)O)C

IUPAC Name

2-[2-[[17-[2-[6-[[3,5-dihydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-methylhept-5-en-2-yl]-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

InChIKey

QUNSGRLNZDSQJC-UHFFFAOYSA-N

INCHI

1S/C59H100O27/c1-24(2)10-9-14-59(8,86-53-46(75)42(71)39(68)31(82-53)23-78-51-47(76)48(40(69)30(21-62)79-51)84-50-44(73)36(65)27(64)22-77-50)25-11-16-58(7)35(25)26(63)18-33-56(5)15-13-34(55(3,4)32(56)12-17-57(33,58)6)83-54-49(43(72)38(67)29(20-61)81-54)85-52-45(74)41(70)37(66)28(19-60)80-52/h10,25-54,60-76H,9,11-23H2,1-8H3

異性体SMILES

CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)C)C)O)C)OC7C(C(C(C(O7)COC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)O)O)O)O)O)O)C

代替CAS番号

90985-77-6

分子量

1241.41

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: Steroidal glycosides Oligosaccharides 12-hydroxysteroids Alkyl glycosides O-glycosyl compounds Oxanes Secondary alcohols Cyclic alcohols and derivatives Polyols Oxacyclic compounds Acetals Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Triterpenoid - Steroidal glycoside - Oligosaccharide - 12-hydroxysteroid - Hydroxysteroid - Steroid - Fatty acyl glycoside - Alkyl glycoside - Glycosyl compound - O-glycosyl compound - Oxane - Fatty acyl - Cyclic alcohol - Secondary alcohol - Polyol - Organoheterocyclic compound - Oxacycle - Acetal - Organooxygen compound - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Primary alcohol - Aliphatic heteropolycyclic 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: 1241.400 g/mol
• XLogP3: -1.300
• Hydrogen Bond Donor Count: 17
• Hydrogen Bond Acceptor Count: 27
• Rotatable Bond Count: 18
• Exact Mass: 1240.65 Da
• Monoisotopic Mass: 1240.65 Da
• Topological Polar Surface Area: 436.000 Ų
• Heavy Atom Count: 86
• Formal Charge: 0
• Complexity: 2270.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 34
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1