(3β)-28-(β-D-Glucopyranosyloxy)-28-oxoolean-12-en-3-yl O-α-L-arabinofuranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→3)]-β-D-glucopyranosiduronic acid

CAS Registry Number®

171370-50-6

CAS Name

(3β)-28-(β-D-Glucopyranosyloxy)-28-oxoolean-12-en-3-yl O-α-L-arabinofuranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→3)]-β-D-glucopyranosiduronic acid

Molecular Formula

C53H84O23

Molecular Mass

1089.22

Cite this Page

(3β)-28-(β-D-Glucopyranosyloxy)-28-oxoolean-12-en-3-yl O-α-L-arabinofuranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→3)]-β-D-glucopyranosiduronic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=171370-50-6 (retrieved 2024-11-22) (CAS RN: 171370-50-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C53H84O23/c1-48(2)14-16-53(47(68)76-45-37(64)34(61)31(58)25(20-55)71-45)17-15-51(6)22(23(53)18-48)8-9-28-50(5)12-11-29(49(3,4)27(50)10-13-52(28,51)7)72-46-41(75-43-35(62)32(59)26(21-56)70-43)39(38(65)40(74-46)42(66)67)73-44-36(63)33(60)30(57)24(19-54)69-44/h8,23-41,43-46,54-65H,9-21H2,1-7H3,(H,66,67)/t23-,24+,25+,26-,27-,28+,29-,30+,31+,32-,33-,34-,35+,36+,37+,38-,39-,40-,41+,43-,44-,45-,46+,50-,51+,52+,53-/m0/s1

InChIKey

InChIKey=KKCPOXQNXGREHK-UMXFEUBSSA-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]8O[C@@H](CO)[C@H](O)[C@H]8O)[C@@H](O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@H](O)[C@@H](C(O)=O)O7)CC6)[H])[H])(CC(C)(C)CC3)[H]

Canonical SMILES

O=C(O)C1OC(OC2CCC3(C)C4CC=C5C6CC(C)(C)CCC6(C(=O)OC7OC(CO)C(O)C(O)C7O)CCC5(C)C4(C)CCC3C2(C)C)C(OC8OC(CO)C(O)C8O)C(OC9OC(CO)C(O)C(O)C9O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, (3β)-28-(β-D-glucopyranosyloxy)-28-oxoolean-12-en-3-yl O-α-L-arabinofuranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→3)]-
  • (3β)-28-(β-D-Glucopyranosyloxy)-28-oxoolean-12-en-3-yl O-α-L-arabinofuranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→3)]-β-D-glucopyranosiduronic acid
  • Kalopanaxsaponin G
  • Kalopanaxsaponin G (C53)

CAS INSIGHTSTM
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