Avenacoside B

CAS Registry Number®

35920-91-3

CAS Name

Avenacoside B

Molecular Formula

C57H92O28

Molecular Mass

1225.32

Cite this Page

Avenacoside B.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=35920-91-3 (retrieved 2024-11-23) (CAS RN: 35920-91-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C57H92O28/c1-21-33-28(84-57(21)13-12-54(3,85-57)20-74-49-41(69)39(67)35(63)29(16-58)77-49)15-27-25-7-6-23-14-24(8-10-55(23,4)26(25)9-11-56(27,33)5)76-53-48(44(72)46(32(19-61)80-53)81-50-42(70)38(66)34(62)22(2)75-50)83-52-45(73)47(37(65)31(18-60)79-52)82-51-43(71)40(68)36(64)30(17-59)78-51/h6,21-22,24-53,58-73H,7-20H2,1-5H3

InChIKey

InChIKey=KSQDOQZKXFUZMV-UHFFFAOYSA-N

SMILES

CC12C3C(OC4(C3C)OC(COC5OC(CO)C(O)C(O)C5O)(C)CC4)CC1C6C(CC2)C7(C)C(=CC6)CC(OC8C(OC9C(O)C(OC%10OC(CO)C(O)C(O)C%10O)C(O)C(CO)O9)C(O)C(OC%11C(O)C(O)C(O)C(C)O%11)C(CO)O8)CC7

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(OC%11OC(CO)C(O)C(O)C%11O)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-[O-β-D-glucopyranosyl-(1→3)-β-D-glucopyranosyl-(1→2)]-
  • (3β,22α,25S)-22,25-Epoxy-26-(β-D-glucopyranosyloxy)furost-5-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-[O-β-D-glucopyranosyl-(1→3)-β-D-glucopyranosyl-(1→2)]-β-D-glucopyranoside
  • Avenacosid B
  • Avenacoside B

Deleted or Replaced CAS Registry Numbers

80940-88-1

CAS INSIGHTSTM
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