Anemarrhenasaponin Ia - ≥98% , CAS No.221317-02-8

CAS: 221317-02-8 Cat. No.: A664188 PubChem CID: 154831910

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: CC1C2C(C(C3C2(CCC4C3CCC5C4(CCC(C5)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(C(O7)C)O)O)O)C)C)O)OC1(CCC(C)C)OC
• IUPAC Name: (3R)-2-[4,5-dihydroxy-2-[[(6R,9S,13S,18R)-3-hydroxy-6-methoxy-7,9,13-trimethyl-6-(3-methylbutyl)-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-16-yl]oxy]-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
• InChIKey: YLSLJTMRNWEFEU-ICMUUHBNSA-N
• INCHI: 1S/C40H68O13/c1-18(2)10-15-40(48-7)19(3)26-34(53-40)30(44)27-23-9-8-21-16-22(11-13-38(21,5)24(23)12-14-39(26,27)6)50-37-35(32(46)29(43)25(17-41)51-37)52-36-33(47)31(45)28(42)20(4)49-36/h18-37,41-47H,8-17H2,1-7H3/t19?,20?,21-,22?,23?,24?,25?,26?,27?,28?,29?,30?,31?,32?,33-,34?,35?,36?,37?,38+,39-,40-/m1/s1
• PubChem CID: 154831910

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Steroids and steroid derivatives
      • Subclass Furostanes and derivatives

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Steroids and steroid derivatives
• Subclass: Furostanes and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Furostanes and derivatives
• Alternative Parents: Vitamin D and derivatives Triterpenoids Steroidal glycosides Hydroxysteroids Fatty acyl glycosides of mono- and disaccharides Alkyl glycosides Ketals Oxanes Monosaccharides Tetrahydrofurans Secondary alcohols Cyclic alcohols and derivatives Oxacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Triterpenoid - Furostane-skeleton - Steroidal glycoside - Hydroxysteroid - 15-hydroxysteroid - Fatty acyl glycoside of mono- or disaccharide - Fatty acyl glycoside - Alkyl glycoside - Ketal - Fatty acyl - Oxane - Monosaccharide - Tetrahydrofuran - Cyclic alcohol - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as furostanes and derivatives. These are compounds containing or derived from the steroid parent furostane, which is a 16b,22-epoxycholestane derivative, the extra ring being labeled as\nring E.
• 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