Avenacoside A

CAS Registry Number®

24915-65-9
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CAS Name

Avenacoside A

Molecular Formula

C51H82O23

Molecular Mass

1063.18

Cite this Page

Avenacoside A.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=24915-65-9 (retrieved 2024-05-19) (CAS RN: 24915-65-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C51H82O23/c1-20-31-27(73-51(20)13-12-48(3,74-51)19-65-44-38(61)36(59)33(56)28(16-52)68-44)15-26-24-7-6-22-14-23(8-10-49(22,4)25(24)9-11-50(26,31)5)67-47-43(72-46-40(63)37(60)34(57)29(17-53)69-46)41(64)42(30(18-54)70-47)71-45-39(62)35(58)32(55)21(2)66-45/h6,20-21,23-47,52-64H,7-19H2,1-5H3

InChIKey

InChIKey=AAJHVVLGKCKBSH-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(COC%10OC(CO)C(O)C(O)C%10O)(C)CC2

Canonical SMILES

OCC1OC(OCC2(OC3(OC4CC5C6CC=C7CC(OC8OC(CO)C(OC9OC(C)C(O)C(O)C9O)C(O)C8OC%10OC(CO)C(O)C(O)C%10O)CCC7(C)C6CCC5(C)C4C3C)CC2)C)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranoside, (3β,22α,25S)-22,25-epoxy-26-(β-D-glucopyranosyloxy)furost-5-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-[β-D-glucopyranosyl-(1→2)]-
  • Avenacoside A
  • (3β,22α,25S)-22,25-Epoxy-26-(β-D-glucopyranosyloxy)furost-5-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-[β-D-glucopyranosyl-(1→2)]-β-D-glucopyranoside
  • NSC 106556

Deleted or Replaced CAS Registry Numbers

80940-87-0

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