11(α)-methoxysaikosaponin F - ≥98% , CAS No.104109-37-7

CAS: 104109-37-7 Cat. No.: M664041 PubChem CID: 73818265

GRADE & PURITY ≥98%

Storage

Room temperature

Shipped In

Normal

Specifications

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3CCC4(C(C3(C)C)CCC5(C4C(C=C6C5(CC(C7(C6CC(CC7)(C)C)CO)O)C)OC)C)C)COC8C(C(C(C(O8)CO)O)O)O)O)O)O
• IUPAC Name: 2-[4,5-dihydroxy-6-[[8-hydroxy-8a-(hydroxymethyl)-14-methoxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-2-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
• InChIKey: QUBQEHLOFWDOPC-UHFFFAOYSA-N
• INCHI: 1S/C49H82O18/c1-22-31(53)33(55)37(59)42(63-22)67-39-27(20-62-41-36(58)34(56)32(54)26(19-50)64-41)65-43(38(60)35(39)57)66-30-11-12-46(6)28(45(30,4)5)10-13-47(7)40(46)25(61-9)16-23-24-17-44(2,3)14-15-49(24,21-51)29(52)18-48(23,47)8/h16,22,24-43,50-60H,10-15,17-21H2,1-9H3
• Isomeric SMILES: CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3CCC4(C(C3(C)C)CCC5(C4C(C=C6C5(CC(C7(C6CC(CC7)(C)C)CO)O)C)OC)C)C)COC8C(C(C(C(O8)CO)O)O)O)O)O)O
• PubChem CID: 73818265

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Prenol lipids
      • Subclass Terpene glycosides
        • Level5 Triterpene glycosides
          • Level6 Triterpene saponins

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Prenol lipids
• Subclass: Terpene glycosides
• Intermediate Tree Nodes: Triterpene glycosides
• Direct Parent: Triterpene saponins
• Alternative Parents: Triterpenoids Oligosaccharides O-glycosyl compounds Oxanes Secondary alcohols Cyclic alcohols and derivatives Polyols Oxacyclic compounds Dialkyl ethers Acetals Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Triterpene saponin - Triterpenoid - Oligosaccharide - Glycosyl compound - O-glycosyl compound - Oxane - Cyclic alcohol - Secondary alcohol - Polyol - Acetal - Oxacycle - Ether - Dialkyl ether - Organoheterocyclic compound - Primary alcohol - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Alcohol - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as triterpene saponins. These are glycosylated derivatives of triterpene sapogenins. The sapogenin moiety backbone is usually based on the oleanane, ursane, taraxastane, bauerane, lanostane, lupeol, lupane, dammarane, cycloartane, friedelane, hopane, 9b,19-cyclo-lanostane, cycloartane, or cycloartanol skeleton.
• 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