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CAS 58546-19-3

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Spirostan-12-one, 3-[(O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-6-deoxy-α-L-mannopyranosyl-(1→3)-O-[β-D-xylopyranosyl-(1→2)]-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-6-deoxy-α-L-mannopyranosyl-(1→4)-O-6-deoxy-α-L-mannopyranosyl-(1→3)-O-[β-D-xylopyranosyl-(1→2)]-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 arrangement of sugar moieties. The presence of multiple sugar units, including deoxy-mannopyranosyl, xylopyranosyl, glucopyranosyl, and galactopyranosyl, indicates its potential biological activity and interaction with various biological systems. This compound may exhibit properties such as anti-inflammatory, immunomodulatory, or cytotoxic effects, common among glycosylated steroids. Its stereochemistry, particularly the (3β,5α,25R) configuration, suggests specific spatial arrangements that can influence its biological interactions and pharmacological properties. The complexity of its structure may also pose challenges in synthesis and characterization, making it a subject of interest in medicinal chemistry and natural product research.
Formula:C62H100O31
InChI:InChI=1S/C62H100O31/c1-21-9-12-62(81-19-21)22(2)36-31(93-62)14-29-27-8-7-25-13-26(10-11-60(25,5)28(27)15-35(67)61(29,36)6)84-57-47(78)42(73)50(33(17-64)86-57)89-58-48(79)43(74)51(34(18-65)87-58)90-59-53(92-54-44(75)38(69)30(66)20-80-54)52(39(70)32(16-63)85-59)91-56-46(77)41(72)49(24(4)83-56)88-55-45(76)40(71)37(68)23(3)82-55/h21-34,36-59,63-66,68-79H,7-20H2,1-6H3
InChI key:InChIKey=HYUWBRLXQLHDHD-UHFFFAOYSA-N
SMILES:CC12C3C(CC1C4C(CC2=O)C5(C)C(CC4)CC(OC6OC(CO)C(OC7OC(CO)C(OC8C(OC9C(O)C(O)C(O)CO9)C(OC%10C(O)C(O)C(OC%11C(O)C(O)C(O)C(C)O%11)C(C)O%10)C(O)C(CO)O8)C(O)C7O)C(O)C6O)CC5)OC%12(C3C)CCC(C)CO%12
Synonyms:
  • Spiro[8H-naphth[2′,1′:4,5]indeno[2,1-b]furan-8,2′-[2H]pyran], spirostan-12-one deriv.
  • Spirostan-12-one, 3-[(O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-6-deoxy-α-L-mannopyranosyl-(1→3)-O-[β-D-xylopyranosyl-(1→2)]-O-β-D-glucopyranosyl-(1→4)-O-β-D-glucopyranosyl-(1→4)-β-D-galactopyranosyl)oxy]-, (3β,5α,25R)-
  • Agavasaponin E
  • Agavoside E
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