(1S,4E,8E,12Z)-14-[(O-6-Deoxy-α-L-mannopyranosyl-(1→6)-O-β-D-glucopyranosyl-(1→3)-6-deoxy-α-L-mannopyranosyl)oxy]-1-ethenyl-1,5,9,13-tetramethyl-4,8,12-tetradecatrien-1-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside

CAS Registry Number®

121961-80-6

CAS Name

(1S,4E,8E,12Z)-14-[(O-6-Deoxy-α-L-mannopyranosyl-(1→6)-O-β-D-glucopyranosyl-(1→3)-6-deoxy-α-L-mannopyranosyl)oxy]-1-ethenyl-1,5,9,13-tetramethyl-4,8,12-tetradecatrien-1-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside

Molecular Formula

C50H84O25

Molecular Mass

1085.19

Cite this Page

(1S,4E,8E,12Z)-14-[(O-6-Deoxy-α-L-mannopyranosyl-(1→6)-O-β-D-glucopyranosyl-(1→3)-6-deoxy-α-L-mannopyranosyl)oxy]-1-ethenyl-1,5,9,13-tetramethyl-4,8,12-tetradecatrien-1-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=121961-80-6 (retrieved 2024-11-24) (CAS RN: 121961-80-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C50H84O25/c1-8-50(7,75-49-44(38(61)33(56)28(19-52)71-49)74-47-40(63)36(59)32(55)27(18-51)70-47)17-11-16-23(3)13-9-12-22(2)14-10-15-24(4)20-66-46-42(65)43(31(54)26(6)69-46)73-48-41(64)37(60)34(57)29(72-48)21-67-45-39(62)35(58)30(53)25(5)68-45/h8,12,15-16,25-49,51-65H,1,9-11,13-14,17-21H2,2-7H3

InChIKey

InChIKey=NFBYZSYLZUMCFV-UHFFFAOYSA-N

SMILES

O(C(CCC=C(CCC=C(CCC=C(COC1C(O)C(OC2OC(COC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C2O)C(O)C(C)O1)C)C)C)(C=C)C)C4C(OC5OC(CO)C(O)C(O)C5O)C(O)C(O)C(CO)O4

Canonical SMILES

OCC1OC(OC2C(O)C(O)C(OC2OC(C=C)(C)CCC=C(C)CCC=C(C)CCC=C(C)COC3OC(C)C(O)C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)C3O)CO)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranoside, (1S,4E,8E,12Z)-14-[(O-6-deoxy-α-L-mannopyranosyl-(1→6)-O-β-D-glucopyranosyl-(1→3)-6-deoxy-α-L-mannopyranosyl)oxy]-1-ethenyl-1,5,9,13-tetramethyl-4,8,12-tetradecatrien-1-yl 2-O-β-D-glucopyranosyl-
  • β-D-Glucopyranoside, 14-[(O-6-deoxy-α-L-mannopyranosyl-(1→6)-O-β-D-glucopyranosyl-(1→3)-6-deoxy-α-L-mannopyranosyl)oxy]-1-ethenyl-1,5,9,13-tetramethyl-4,8,12-tetradecatrienyl 2-O-β-D-glucopyranosyl-, [1S-(1R*,4E,8E,12Z)]-
  • β-D-Glucopyranoside, (1S,4E,8E,12Z)-14-[(O-6-deoxy-α-L-mannopyranosyl-(1→6)-O-β-D-glucopyranosyl-(1→3)-6-deoxy-α-L-mannopyranosyl)oxy]-1-ethenyl-1,5,9,13-tetramethyl-4,8,12-tetradecatrienyl 2-O-β-D-glucopyranosyl-
  • (1S,4E,8E,12Z)-14-[(O-6-Deoxy-α-L-mannopyranosyl-(1→6)-O-β-D-glucopyranosyl-(1→3)-6-deoxy-α-L-mannopyranosyl)oxy]-1-ethenyl-1,5,9,13-tetramethyl-4,8,12-tetradecatrien-1-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside
  • Capsianside II

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