β-D-Glucopyranosyl (3β)-3-[(O-β-D-glucopyranosyl-(1→3)-O-[β-D-xylopyranosyl-(1→2)]-α-L-arabinopyranosyl)oxy]olean-12-en-28-oate

CAS Registry Number®

144118-18-3

CAS Name

β-D-Glucopyranosyl (3β)-3-[(O-β-D-glucopyranosyl-(1→3)-O-[β-D-xylopyranosyl-(1→2)]-α-L-arabinopyranosyl)oxy]olean-12-en-28-oate

Molecular Formula

C52H84O21

Molecular Mass

1045.21

Cite this Page

β-D-Glucopyranosyl (3β)-3-[(O-β-D-glucopyranosyl-(1→3)-O-[β-D-xylopyranosyl-(1→2)]-α-L-arabinopyranosyl)oxy]olean-12-en-28-oate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=144118-18-3 (retrieved 2024-11-25) (CAS RN: 144118-18-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C52H84O21/c1-47(2)14-16-52(46(65)73-44-39(64)36(61)34(59)28(20-54)69-44)17-15-50(6)23(24(52)18-47)8-9-30-49(5)12-11-31(48(3,4)29(49)10-13-51(30,50)7)70-45-41(72-42-37(62)32(57)25(55)21-66-42)40(26(56)22-67-45)71-43-38(63)35(60)33(58)27(19-53)68-43/h8,24-45,53-64H,9-22H2,1-7H3/t24-,25+,26-,27+,28+,29-,30+,31-,32-,33+,34+,35-,36-,37+,38+,39+,40-,41+,42-,43-,44-,45-,49-,50+,51+,52-/m0/s1

InChIKey

InChIKey=MLIQJRVPWRKGIO-BPJZXJLTSA-N

SMILES

C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)(=O)[C@]23[C@](C=4[C@@](C)(CC2)[C@@]5(C)[C@](CC4)([C@]6(C)[C@@](CC5)(C(C)(C)[C@@H](O[C@H]7[C@H](O[C@H]8[C@H](O)[C@@H](O)[C@H](O)CO8)[C@@H](O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@@H](O)CO7)CC6)[H])[H])(CC(C)(C)CC3)[H]

Canonical SMILES

O=C(OC1OC(CO)C(O)C(O)C1O)C23CCC(C)(C)CC3C4=CCC5C6(C)CCC(OC7OCC(O)C(OC8OC(CO)C(O)C(O)C8O)C7OC9OCC(O)C(O)C9O)C(C)(C)C6CCC5(C)C4(C)CC2

Other Names for this Substance

  • Olean-12-en-28-oic acid, 3-[(O-β-D-glucopyranosyl-(1→3)-O-[β-D-xylopyranosyl-(1→2)]-α-L-arabinopyranosyl)oxy]-, β-D-glucopyranosyl ester, (3β)-
  • β-D-Glucopyranosyl (3β)-3-[(O-β-D-glucopyranosyl-(1→3)-O-[β-D-xylopyranosyl-(1→2)]-α-L-arabinopyranosyl)oxy]olean-12-en-28-oate
  • Caraganoside A
  • Elatoside F
  • Tarasaponin VII

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