Jujuboside A1

CAS Registry Number®

194851-84-8

CAS Name

Jujuboside A1

Molecular Formula

C58H94O26

Molecular Mass

1207.35

Cite this Page

Jujuboside A1.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=194851-84-8 (retrieved 2024-12-22) (CAS RN: 194851-84-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C58H94O26/c1-23(2)15-25-16-56(8,72)47-26-9-10-32-54(6)13-12-33(53(4,5)31(54)11-14-55(32,7)57(26)21-58(47,84-25)76-22-57)80-51-46(83-50-43(71)38(66)34(62)24(3)77-50)44(28(61)19-74-51)81-52-45(82-49-41(69)35(63)27(60)18-73-49)40(68)37(65)30(79-52)20-75-48-42(70)39(67)36(64)29(17-59)78-48/h15,24-52,59-72H,9-14,16-22H2,1-8H3/t24-,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+,54+,55-,56+,57+,58+/m1/s1

InChIKey

InChIKey=KVKRFLVYJLIZFD-DNXUZUIXSA-N

SMILES

C[C@]12[C@@]34[C@@]([C@@]5([C@@](C3)(OC4)O[C@@H](C=C(C)C)C[C@]5(C)O)[H])(CC[C@@]1([C@]6(C)[C@@](CC2)(C(C)(C)[C@@H](O[C@H]7[C@H](O[C@@H]8[C@H](O)[C@@H](O)[C@@H](O)[C@@H](C)O8)[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[C@@H]%11O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%11O)O9)[C@@H](O)CO7)CC6)[H])[H])[H]

Canonical SMILES

OCC1OC(OCC2OC(OC3C(O)COC(OC4CCC5(C)C(CCC6(C)C5CCC7C8C(O)(C)CC(OC98OCC76C9)C=C(C)C)C4(C)C)C3OC%10OC(C)C(O)C(O)C%10O)C(OC%11OCC(O)C(O)C%11O)C(O)C2O)C(O)C(O)C1O

Other Names for this Substance

  • α-L-Arabinopyranoside, (3β,16β,23R)-16,23:16,30-diepoxy-20-hydroxydammar-24-en-3-yl O-6-deoxy-α-D-galactopyranosyl-(1→2)-O-[O-β-D-glucopyranosyl-(1→6)-O-[β-D-xylopyranosyl-(1→2)]-β-D-glucopyranosyl-(1→3)]-
  • (3β,16β,23R)-16,23:16,30-Diepoxy-20-hydroxydammar-24-en-3-yl O-6-deoxy-α-D-galactopyranosyl-(1→2)-O-[O-β-D-glucopyranosyl-(1→6)-O-[β-D-xylopyranosyl-(1→2)]-β-D-glucopyranosyl-(1→3)]-α-L-arabinopyranoside
  • Jujuboside A1
  • Jujuboside D

CAS INSIGHTSTM
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