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CAS 76402-66-9

:

Yuanhuadin

Description:
Yuanhuadin, with the CAS number 76402-66-9, is a chemical compound derived from the traditional Chinese medicinal plant, *Yuanhua* (Daphne genkwa). It is primarily recognized for its potential pharmacological properties, particularly in the context of traditional medicine. Yuanhuadin is characterized by its complex molecular structure, which includes various functional groups that contribute to its biological activity. The compound has been studied for its anti-inflammatory and analgesic effects, making it of interest in both pharmacology and medicinal chemistry. Additionally, Yuanhuadin may exhibit antioxidant properties, which can be beneficial in mitigating oxidative stress in biological systems. Its solubility and stability in different solvents can vary, influencing its application in formulations. As with many natural products, the extraction and purification processes are crucial for obtaining a pure form of Yuanhuadin for research and therapeutic use. Overall, Yuanhuadin represents a significant example of how natural compounds can be explored for their medicinal potential.
Formula:C32H42O10
InChI:InChI=1S/C32H42O10/c1-7-8-9-10-11-12-13-14-29-40-26-22-25-28(16-33,39-25)27(36)30(37)21(15-18(4)23(30)35)32(22,42-29)19(5)24(38-20(6)34)31(26,41-29)17(2)3/h11-15,19,21-22,24-27,33,36-37H,2,7-10,16H2,1,3-6H3/b12-11+,14-13+/t19-,21-,22+,24-,25+,26-,27-,28+,29-,30-,31+,32+/m1/s1
InChI key:InChIKey=NHELFTYSELEEFD-SVAWBNMMSA-N
SMILES:C[C@H]1[C@]23[C@]([C@@]4([C@](C(C)=C)([C@@H]1OC(C)=O)O[C@](/C=C/C=C/CCCCC)(O2)O4)[H])([C@]5([C@](CO)(O5)[C@@H](O)[C@@]6(O)[C@]3(C=C(C)C6=O)[H])[H])[H]
Synonyms:
  • Simplexin, 12-(acetyloxy)-22,23,24,25-tetradehydro-, (12β,22E,24E)-
  • 6H-2,8b-Epoxyoxireno[6,7]azuleno[5,4-e]-1,3-benzodioxol-6-one, 10-(acetyloxy)-3b,3c,4a,5,5a,8a,8b,9,10,10a-decahydro-5,5a-dihydroxy-4a-(hydroxymethyl)-7,9-dimethyl-10a-(1-methylethenyl)-2-(1,3-nonadienyl)-, [2S-[2α,2(1E,3E),3aβ,3bβ,3cβ,4aβ,5β,5aβ,8aα,8bβ,9α,10β,10aβ]]-
  • Yuanhuadin
  • 6H-2,8b-Epoxyoxireno[6,7]azuleno[5,4-e]-1,3-benzodioxol-6-one, 10-(acetyloxy)-3a,3b,3c,4a,5,5a,8a,9,10,10a-decahydro-5,5a-dihydroxy-4a-(hydroxymethyl)-7,9-dimethyl-10a-(1-methylethenyl)-2-(1E,3E)-1,3-nonadien-1-yl-, (2S,3aR,3bS,3cS,4aR,5S,5aS,8aR,8bR,9R,10R,10aS)-
  • (2S,3aR,3bS,3cS,4aR,5S,5aS,8aR,8bR,9R,10R,10aS)-10-(Acetyloxy)-3a,3b,3c,4a,5,5a,8a,9,10,10a-decahydro-5,5a-dihydroxy-4a-(hydroxymethyl)-7,9-dimethyl-10a-(1-methylethenyl)-2-(1E,3E)-1,3-nonadien-1-yl-6H-2,8b-epoxyoxireno[6,7]azuleno[5,4-e]-1,3-benzodioxol-6-one
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