(3β,4β,21β,22β)-22-(α-L-Arabinopyranosyloxy)-21,23-dihydroxyolean-12-en-3-yl 2-O-β-D-galactopyranosyl-β-D-glucopyranosiduronic acid

CAS Registry Number®

168288-05-9
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CAS Name

(3β,4β,21β,22β)-22-(α-L-Arabinopyranosyloxy)-21,23-dihydroxyolean-12-en-3-yl 2-O-β-D-galactopyranosyl-β-D-glucopyranosiduronic acid

Molecular Formula

C47H76O19

Molecular Mass

945.09

Cite this Page

(3β,4β,21β,22β)-22-(α-L-Arabinopyranosyloxy)-21,23-dihydroxyolean-12-en-3-yl 2-O-β-D-galactopyranosyl-β-D-glucopyranosiduronic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=168288-05-9 (retrieved 2024-09-20) (CAS RN: 168288-05-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C47H76O19/c1-42(2)16-21-20-8-9-25-44(4)12-11-26(63-41-35(31(55)30(54)34(64-41)38(59)60)65-40-33(57)29(53)28(52)23(17-48)62-40)45(5,19-49)24(44)10-13-47(25,7)46(20,6)15-14-43(21,3)37(36(42)58)66-39-32(56)27(51)22(50)18-61-39/h8,21-37,39-41,48-58H,9-19H2,1-7H3,(H,59,60)/t21-,22-,23+,24+,25+,26-,27-,28-,29-,30-,31-,32+,33+,34-,35+,36-,37+,39-,40-,41+,43+,44-,45+,46+,47+/m0/s1

InChIKey

InChIKey=SIODGEACWMQOFA-WRUCPCRCSA-N

SMILES

C[C@]12[C@@]([C@]3(C)[C@@](CC1)([C@](CO)(C)[C@@H](O[C@H]4[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O4)CC3)[H])(CC=C6[C@@]2(C)CC[C@]7(C)[C@]6(CC(C)(C)[C@@H](O)[C@H]7O[C@H]8[C@H](O)[C@@H](O)[C@@H](O)CO8)[H])[H]

Canonical SMILES

O=C(O)C1OC(OC2CCC3(C)C4CC=C5C6CC(C)(C)C(O)C(OC7OCC(O)C(O)C7O)C6(C)CCC5(C)C4(C)CCC3C2(C)CO)C(OC8OC(CO)C(O)C(O)C8O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, (3β,4β,21β,22β)-22-(α-L-arabinopyranosyloxy)-21,23-dihydroxyolean-12-en-3-yl 2-O-β-D-galactopyranosyl-
  • (3β,4β,21β,22β)-22-(α-L-Arabinopyranosyloxy)-21,23-dihydroxyolean-12-en-3-yl 2-O-β-D-galactopyranosyl-β-D-glucopyranosiduronic acid
  • Kudzusaponin SA2