Desglucoavenacoside A

CAS Registry Number®

59795-21-0
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CAS Name

Desglucoavenacoside A

Molecular Formula

C45H72O18

Molecular Mass

901.04

Cite this Page

Desglucoavenacoside A.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=59795-21-0 (retrieved 2024-09-20) (CAS RN: 59795-21-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C45H72O18/c1-19-29-26(62-45(19)13-12-42(3,18-48)63-45)15-25-23-7-6-21-14-22(8-10-43(21,4)24(23)9-11-44(25,29)5)57-41-38(61-40-35(54)33(52)31(50)27(16-46)58-40)36(55)37(28(17-47)59-41)60-39-34(53)32(51)30(49)20(2)56-39/h6,19-20,22-41,46-55H,7-18H2,1-5H3

InChIKey

InChIKey=XUUBSPXZCBAWET-UHFFFAOYSA-N

SMILES

CC1C2(OC3C1C4(C)C(C3)C5C(CC4)C6(C)C(=CC5)CC(OC7C(OC8OC(CO)C(O)C(O)C8O)C(O)C(OC9C(O)C(O)C(O)C(C)O9)C(CO)O7)CC6)OC(CO)(C)CC2

Canonical SMILES

OCC1OC(OC2C(O)C(OC3OC(C)C(O)C(O)C3O)C(OC2OC4CC5=CCC6C(CCC7(C)C6CC8OC9(OC(C)(CO)CC9)C(C)C87)C5(C)CC4)CO)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranoside, (3β,22α,25S)-22,25-epoxy-26-hydroxyfurost-5-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-[β-D-glucopyranosyl-(1→2)]-
  • (3β,22α,25S)-22,25-Epoxy-26-hydroxyfurost-5-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-[β-D-glucopyranosyl-(1→2)]-β-D-glucopyranoside
  • 26-Desglucoavenacoside A
  • 26-Deglucoavenacoside A
  • Desglucoavenacoside A

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