Gypenoside Xlix

• Catalog Number: ACM94987083
• Product Name: Gypenoside Xlix
• CAS: 94987-08-3
• Category: Heterocyclic Organic Compound
• Synonyms: Gypenoside XLIX;(3beta)-3-[(O-6-Deoxy-alpha-L-mannopyranosyl-(1-2)-O-[beta-D-xylopyranosyl-(1-3)]-alpha-L-arabinopyranosyl)oxy]-21-(beta-D-glucopyranosyloxy)-20-hydroxy-dammar-24-en-19-al
• IUPAC Name: (3S,5S,8R,9S,10S,13R,14R,17S)-17-[(2S)-2-hydroxy-6-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-3-[(2S,3R,4S,5S)-5-hydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,4,8,14-tetramethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
• Molecular Weight: 1047.23
• Molecular Formula: C52H86O21
• Canonical SMILES: CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC4(C5CCC6C(CCC6(C5(CCC4C3(C)C)C)C)C(CCC=C(C)C)(COC7C(C(C(C(O7)CO)O)O)O)O)C=O)O)OC8C(C(C(CO8)O)O)O)O)O)O
• InChI: InChI=1S/C52H86O21/c1-24(2)9-8-15-52(65,23-68-45-40(63)38(61)36(59)30(19-53)70-45)27-12-16-49(6)26(27)10-11-32-50(49,7)17-13-31-48(4,5)33(14-18-51(31,32)22-54)71-47-43(73-46-41(64)37(60)34(57)25(3)69-46)42(29(56)21-67-47)72-44-39(62)35(58)28(55)20-66-44/h9,22,25-47,53,55-65H,8,10-21,23H2,1-7H3/t25-,26+,27-,28+,29-,30+,31-,32-,33-,34-,35-,36+,37+,38-,39+,40+,41+,42-,43+,44-,45+,46-,47-,49+,50+,51+,52+/m0/s1
• InChI Key: AFEVCSJFNQWWDF-AZFNEDKCSA-N
• Density: 1.41
• Appearance: White powder