Trigoneoside XIIIa

CAS Registry Number®

290348-13-9

CAS Name

Trigoneoside XIIIa

Molecular Formula

C57H94O28

Molecular Mass

1227.34

Cite this Page

Trigoneoside XIIIa.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=290348-13-9 (retrieved 2025-02-22) (CAS RN: 290348-13-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C57H94O28/c1-21(20-75-50-42(69)40(67)36(63)30(16-58)78-50)8-13-57(74)22(2)34-29(85-57)15-28-26-7-6-24-14-25(9-11-55(24,4)27(26)10-12-56(28,34)5)77-54-49(84-51-43(70)39(66)35(62)23(3)76-51)45(72)47(33(19-61)81-54)82-53-46(73)48(38(65)32(18-60)80-53)83-52-44(71)41(68)37(64)31(17-59)79-52/h14,21-23,25-54,58-74H,6-13,15-20H2,1-5H3/t21-,22-,23-,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?/m0/s1

InChIKey

InChIKey=MRQJEQDYCOSTTM-DGRAHRSLSA-N

SMILES

C[C@@]12[C@]([C@]3([C@](CC1)([C@]4(C)C(CC3)=C[C@@H](O[C@H]5[C@H](O[C@H]6[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O6)[C@@H](O)[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](CO)O5)CC4)[H])[H])(C[C@]9([C@@]2([C@H](C)C(CC[C@@H](CO[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)C)(O)O9)[H])[H])[H]

Canonical SMILES

OCC1OC(OCC(C)CCC2(O)OC3CC4C5CCC6=CC(OC7OC(CO)C(OC8OC(CO)C(O)C(OC9OC(CO)C(O)C(O)C9O)C8O)C(O)C7OC%10OC(C)C(O)C(O)C%10O)CCC6(C)C5CCC4(C)C3C2C)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranoside, (3β,25S)-26-(β-D-glucopyranosyloxy)-22-hydroxyfurost-4-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[O-β-D-glucopyranosyl-(1→3)-β-D-glucopyranosyl-(1→4)]-
  • (3β,25S)-26-(β-D-Glucopyranosyloxy)-22-hydroxyfurost-4-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[O-β-D-glucopyranosyl-(1→3)-β-D-glucopyranosyl-(1→4)]-β-D-glucopyranoside
  • Trigoneoside XIIIa

CAS INSIGHTSTM
Samples on a microarray, illustration