(2α,3β,5α)-26-(β-D-Glucopyranosyloxy)-2-hydroxy-22-methoxyfurost-25(27)-en-3-yl O-β-D-glucopyranosyl-(1→3)-O-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→3)]-O-β-D-glucopyranosyl-(1→4)-β-D-galactopyranoside

CAS Registry Number®

446290-90-0

CAS Name

(2α,3β,5α)-26-(β-D-Glucopyranosyloxy)-2-hydroxy-22-methoxyfurost-25(27)-en-3-yl O-β-D-glucopyranosyl-(1→3)-O-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→3)]-O-β-D-glucopyranosyl-(1→4)-β-D-galactopyranoside

Molecular Formula

C64H106O35

Molecular Mass

1435.51

Cite this Page

(2α,3β,5α)-26-(β-D-Glucopyranosyloxy)-2-hydroxy-22-methoxyfurost-25(27)-en-3-yl O-β-D-glucopyranosyl-(1→3)-O-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→3)]-O-β-D-glucopyranosyl-(1→4)-β-D-galactopyranoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=446290-90-0 (retrieved 2024-11-24) (CAS RN: 446290-90-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C64H106O35/c1-22(21-87-56-47(81)43(77)38(72)31(15-65)89-56)8-11-64(86-5)23(2)37-30(99-64)13-27-25-7-6-24-12-29(28(71)14-63(24,4)26(25)9-10-62(27,37)3)88-57-50(84)46(80)52(36(20-70)94-57)95-61-55(54(42(76)35(19-69)93-61)97-59-49(83)45(79)40(74)33(17-67)91-59)98-60-51(85)53(41(75)34(18-68)92-60)96-58-48(82)44(78)39(73)32(16-66)90-58/h23-61,65-85H,1,6-21H2,2-5H3/t23-,24-,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-,53-,54-,55+,56+,57+,58-,59-,60-,61-,62-,63-,64?/m0/s1

InChIKey

InChIKey=PRHKAXKZWQKOLN-FFYBEAOXSA-N

SMILES

C[C@@]12[C@]([C@]3([C@](CC1)([C@]4(C)[C@@](CC3)(C[C@@H](O[C@@H]5O[C@H](CO)[C@H](O[C@H]6[C@H](O[C@H]7[C@H](O)[C@@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@@H](CO)O7)[C@@H](O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@H](O)[C@@H](CO)O6)[C@H](O)[C@H]5O)[C@H](O)C4)[H])[H])[H])(C[C@]%10([C@@]2([C@H](C)C(CCC(CO[C@@H]%11O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%11O)=C)(OC)O%10)[H])[H])[H]

Canonical SMILES

OCC1OC(OCC(=C)CCC2(OC)OC3CC4C5CCC6CC(OC7OC(CO)C(OC8OC(CO)C(O)C(OC9OC(CO)C(O)C(O)C9O)C8OC%10OC(CO)C(O)C(OC%11OC(CO)C(O)C(O)C%11O)C%10O)C(O)C7O)C(O)CC6(C)C5CCC4(C)C3C2C)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Galactopyranoside, (2α,3β,5α)-26-(β-D-glucopyranosyloxy)-2-hydroxy-22-methoxyfurost-25(27)-en-3-yl O-β-D-glucopyranosyl-(1→3)-O-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→3)]-O-β-D-glucopyranosyl-(1→4)-
  • (2α,3β,5α)-26-(β-D-Glucopyranosyloxy)-2-hydroxy-22-methoxyfurost-25(27)-en-3-yl O-β-D-glucopyranosyl-(1→3)-O-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→3)]-O-β-D-glucopyranosyl-(1→4)-β-D-galactopyranoside
  • Capsicoside E
  • 26-O-β-D-Glucopyranosyl-22-O-methyl-5α-furost-25(27)-en-2α,3β,22ξ,26-tetraol-3-O-β-D-glucopyranosyl-(1→3)-β-D-glucopyranosyl-(1→2)-[β-D-glucopyranosyl-(1→3)]-β-D-glucopyranosyl-(1→4)-β-D-galactopyranoside

CAS INSIGHTSTM
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