(3β,16α)-13,28-Epoxy-16-hydroxyoleanan-3-yl O-β-D-glucopyranosyl-(1→2)-O-[O-β-D-xylopyranosyl-(1→2)-β-D-glucopyranosyl-(1→4)]-α-L-arabinopyranoside

CAS Registry Number®

126882-54-0
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CAS Name

(3β,16α)-13,28-Epoxy-16-hydroxyoleanan-3-yl O-β-D-glucopyranosyl-(1→2)-O-[O-β-D-xylopyranosyl-(1→2)-β-D-glucopyranosyl-(1→4)]-α-L-arabinopyranoside

Molecular Formula

C52H86O21

Molecular Mass

1047.23

Cite this Page

(3β,16α)-13,28-Epoxy-16-hydroxyoleanan-3-yl O-β-D-glucopyranosyl-(1→2)-O-[O-β-D-xylopyranosyl-(1→2)-β-D-glucopyranosyl-(1→4)]-α-L-arabinopyranoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=126882-54-0 (retrieved 2024-09-20) (CAS RN: 126882-54-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C52H86O21/c1-46(2)14-15-51-22-67-52(29(51)16-46)13-9-28-48(5)11-10-31(47(3,4)27(48)8-12-49(28,6)50(52,7)17-30(51)56)71-44-40(73-43-39(64)36(61)33(58)24(18-53)68-43)35(60)26(21-66-44)70-45-41(37(62)34(59)25(19-54)69-45)72-42-38(63)32(57)23(55)20-65-42/h23-45,53-64H,8-22H2,1-7H3/t23-,24-,25-,26+,27+,28-,29?,30-,31+,32+,33-,34-,35+,36+,37+,38-,39-,40-,41-,42+,43+,44+,45+,48+,49-,50+,51-,52+/m1/s1

InChIKey

InChIKey=GQENXAKENMICMF-WMRZMZPNSA-N

SMILES

C[C@]12[C@@]3(C4([C@@](CO3)([C@H](O)C1)CCC(C)(C)C4)[H])CC[C@]5([C@@]2(C)CC[C@@]6([C@]5(C)CC[C@H](O[C@H]7[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@@H](O[C@H]9[C@H](O[C@H]%10[C@H](O)[C@@H](O)[C@H](O)CO%10)[C@@H](O)[C@H](O)[C@@H](CO)O9)CO7)C6(C)C)[H])[H]

Canonical SMILES

OCC1OC(OC2C(O)C(OC3OC(CO)C(O)C(O)C3OC4OCC(O)C(O)C4O)COC2OC5CCC6(C)C(CCC7(C)C6CCC89OCC%10(CCC(C)(C)CC8%10)C(O)CC97C)C5(C)C)C(O)C(O)C1O

Other Names for this Substance

  • α-L-Arabinopyranoside, (3β,16α)-13,28-epoxy-16-hydroxyoleanan-3-yl O-β-D-glucopyranosyl-(1→2)-O-[O-β-D-xylopyranosyl-(1→2)-β-D-glucopyranosyl-(1→4)]-
  • (3β,16α)-13,28-Epoxy-16-hydroxyoleanan-3-yl O-β-D-glucopyranosyl-(1→2)-O-[O-β-D-xylopyranosyl-(1→2)-β-D-glucopyranosyl-(1→4)]-α-L-arabinopyranoside
  • Lysikokianoside 1
  • Lysikoianoside
  • Saponin 10

Deleted or Replaced CAS Registry Numbers

160517-92-0