Methyl protogracillin

For research use only. Not for therapeutic Use.

  • CAT Number: I018449
  • CAS Number: 54522-53-1
  • Molecular Formula: C52H86O23
  • Molecular Weight: 1079.23
  • Purity: ≥95%
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Methyl protogracillin(Cat No.:I018449)is a dammarane-type triterpenoid saponin derivative belonging to the ginsenoside family, structurally modified through methylation. Isolated from Panax species and related plants, it retains the characteristic glycosidic architecture that contributes to diverse biological effects. Research indicates that methyl protogracillin exhibits anticancer, anti-inflammatory, and antioxidant activities, with potential to regulate apoptosis and modulate key signaling pathways. It has been studied for roles in cardiovascular and neurological protection as well. Its defined structure makes it a valuable compound for pharmacological, biochemical, and natural product research.


CAS Number 54522-53-1
Synonyms

(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-2-[[(1S,2S,4S,6R,7S,8R,9S,12S,13R,16S)-6-methoxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol

Molecular Formula C52H86O23
Purity ≥95%
IUPAC Name 2-[5-hydroxy-6-(hydroxymethyl)-2-[[(1S,2S,4S,7S,8R,9S,12S,13R,16S)-6-methoxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
InChI InChI=1S/C52H86O23/c1-21(20-67-46-41(63)39(61)35(57)30(17-53)70-46)9-14-52(66-6)22(2)33-29(75-52)16-28-26-8-7-24-15-25(10-12-50(24,4)27(26)11-13-51(28,33)5)69-49-45(74-47-42(64)38(60)34(56)23(3)68-47)44(37(59)32(19-55)72-49)73-48-43(65)40(62)36(58)31(18-54)71-48/h7,21-23,25-49,53-65H,8-20H2,1-6H3/t21-,22+,23?,25+,26-,27+,28+,29+,30?,31?,32?,33+,34?,35?,36?,37?,38?,39?,40?,41?,42?,43?,44?,45?,46?,47?,48?,49?,50+,51+,52?/m1/s1
InChIKey LOSNTJHBTWBJCC-UOJDEKDCSA-N
SMILES C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)OC6C(C(C(C(O6)CO)O)OC7C(C(C(C(O7)CO)O)O)O)OC8C(C(C(C(O8)C)O)O)O)C)C)OC1(CC[C@@H](C)COC9C(C(C(C(O9)CO)O)O)O)OC
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