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CAS 56316-35-9

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Spirostan-12-one, 3-[(O-β-D-glucopyranosyl-(1→4)-O-β-D-glucopyranosyl-(1→4)-β-D-galactopyranosyl)oxy]-, (3β,5α,25R)-

Description:
Spirostan-12-one, 3-[(O-β-D-glucopyranosyl-(1→4)-O-β-D-glucopyranosyl-(1→4)-β-D-galactopyranosyl)oxy]-, (3β,5α,25R)- is a complex glycosylated steroid compound characterized by its spirostan structure, which features a steroid backbone with a unique spiro configuration. The presence of multiple sugar moieties, specifically two β-D-glucopyranosyl units and one β-D-galactopyranosyl unit, indicates that this compound is a glycoside, which can influence its solubility, bioactivity, and interaction with biological systems. The stereochemistry at the 3β, 5α, and 25R positions is crucial for its biological activity, potentially affecting its interaction with receptors or enzymes. This compound may exhibit various pharmacological properties, including anti-inflammatory or immunomodulatory effects, due to its steroidal nature combined with the glycosylation, which can enhance its stability and bioavailability. Its CAS number, 56316-35-9, allows for precise identification in chemical databases and literature. Overall, this compound represents a fascinating intersection of steroid chemistry and carbohydrate chemistry, with potential applications in medicinal chemistry and pharmacology.
Formula:C45H72O19
InChI:InChI=1S/C45H72O19/c1-18-7-10-45(57-17-18)19(2)30-25(64-45)12-24-22-6-5-20-11-21(8-9-43(20,3)23(22)13-29(49)44(24,30)4)58-40-36(55)33(52)38(27(15-47)60-40)63-42-37(56)34(53)39(28(16-48)61-42)62-41-35(54)32(51)31(50)26(14-46)59-41/h18-28,30-42,46-48,50-56H,5-17H2,1-4H3/t18-,19+,20+,21+,22-,23+,24+,25+,26-,27-,28-,30+,31-,32+,33-,34-,35-,36-,37-,38+,39-,40-,41+,42+,43+,44-,45-/m1/s1
InChI key:InChIKey=KTFHPQODYKNDKE-FYCJIGEFSA-N
SMILES:C[C@@]12[C@@]3([C@](C[C@]1([C@]4([C@](CC2=O)([C@]5(C)[C@@](CC4)(C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC5)[H])[H])[H])[H])(O[C@@]9([C@H]3C)CC[C@@H](C)CO9)[H])[H]
Synonyms:
  • Spiro[8H-naphth[2′,1′:4,5]indeno[2,1-b]furan-8,2′-[2H]pyran], spirostan-12-one deriv.
  • Agavasaponin C
  • Agavoside C
  • Spirostan-12-one, 3-[(O-β-D-glucopyranosyl-(1→4)-O-β-D-glucopyranosyl-(1→4)-β-D-galactopyranosyl)oxy]-, (3β,5α,25R)-
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