β-D-Glucopyranoside, (1β,3β,5β,22α)-3-[(6-deoxy-4-O-β-D-glucopyranosyl-α-L-mannopyranosyl)oxy]-26-(β-D-glucopyranosyloxy)-22-hydroxyfurost-25(27)-en-1-yl 6-deoxy-2-O-(6-deoxy-α-L-mannopyranosyl)-

CAS Registry Number®

52591-05-6

CAS Name

β-D-Glucopyranoside, (1β,3β,5β,22α)-3-[(6-deoxy-4-O-β-D-glucopyranosyl-α-L-mannopyranosyl)oxy]-26-(β-D-glucopyranosyloxy)-22-hydroxyfurost-25(27)-en-1-yl 6-deoxy-2-O-(6-deoxy-α-L-mannopyranosyl)-

Molecular Formula

C57H94O27

Molecular Mass

1211.34

Cite this Page

β-D-Glucopyranoside, (1β,3β,5β,22α)-3-[(6-deoxy-4-O-β-D-glucopyranosyl-α-L-mannopyranosyl)oxy]-26-(β-D-glucopyranosyloxy)-22-hydroxyfurost-25(27)-en-1-yl 6-deoxy-2-O-(6-deoxy-α-L-mannopyranosyl)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=52591-05-6 (retrieved 2024-11-26) (CAS RN: 52591-05-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C57H94O27/c1-20(19-74-50-44(69)40(65)37(62)31(17-58)79-50)10-13-57(73)21(2)34-30(84-57)16-29-27-9-8-25-14-26(78-51-47(72)43(68)48(24(5)77-51)82-53-46(71)41(66)38(63)32(18-59)80-53)15-33(56(25,7)28(27)11-12-55(29,34)6)81-54-49(42(67)36(61)23(4)76-54)83-52-45(70)39(64)35(60)22(3)75-52/h21-54,58-73H,1,8-19H2,2-7H3

InChIKey

InChIKey=FNDDEEUISKKDMU-UHFFFAOYSA-N

SMILES

CC12C(C3C(CC1)C4(C)C(OC5C(OC6C(O)C(O)C(O)C(C)O6)C(O)C(O)C(C)O5)CC(OC7C(O)C(O)C(OC8OC(CO)C(O)C(O)C8O)C(C)O7)CC4CC3)CC9C2C(C)C(CCC(COC%10OC(CO)C(O)C(O)C%10O)=C)(O)O9

Canonical SMILES

OCC1OC(OCC(=C)CCC2(O)OC3CC4C5CCC6CC(OC7OC(C)C(OC8OC(CO)C(O)C(O)C8O)C(O)C7O)CC(OC9OC(C)C(O)C(O)C9OC%10OC(C)C(O)C(O)C%10O)C6(C)C5CCC4(C)C3C2C)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranoside, (1β,3β,5β,22α)-3-[(6-deoxy-4-O-β-D-glucopyranosyl-α-L-mannopyranosyl)oxy]-26-(β-D-glucopyranosyloxy)-22-hydroxyfurost-25(27)-en-1-yl 6-deoxy-2-O-(6-deoxy-α-L-mannopyranosyl)-
  • 1H-Naphth[2′,1′:4,5]indeno[2,1-b]furan, β-D-glucopyranoside deriv.
  • Furostan, β-D-glucopyranoside deriv.
  • Convallamaroside

Deleted or Replaced CAS Registry Numbers

11053-73-9, 11076-93-0

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