Olean-12-en-28-oic acid, 3-[(O-α-L-arabinopyranosyl-(1→2)-O-α-L-arabinopyranosyl-(1→6)-β-D-glucopyranosyl)oxy]-16-hydroxy-21-[[(2E)-6-hydroxy-2,6-dimethyl-1-oxo-2,7-octadienyl]oxy]-, (3β,16α,21β)-

CAS Registry Number®

248259-55-4

CAS Name

Olean-12-en-28-oic acid, 3-[(O-α-L-arabinopyranosyl-(1→2)-O-α-L-arabinopyranosyl-(1→6)-β-D-glucopyranosyl)oxy]-16-hydroxy-21-[[(2E)-6-hydroxy-2,6-dimethyl-1-oxo-2,7-octadienyl]oxy]-, (3β,16α,21β)-

Molecular Formula

C56H88O20

Molecular Mass

1081.29

Cite this Page

Olean-12-en-28-oic acid, 3-[(O-α-L-arabinopyranosyl-(1→2)-O-α-L-arabinopyranosyl-(1→6)-β-D-glucopyranosyl)oxy]-16-hydroxy-21-[[(2E)-6-hydroxy-2,6-dimethyl-1-oxo-2,7-octadienyl]oxy]-, (3β,16α,21β)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=248259-55-4 (retrieved 2025-02-19) (CAS RN: 248259-55-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C56H88O20/c1-11-52(7,69)18-12-13-27(2)45(66)74-37-23-56(49(67)68)29(21-50(37,3)4)28-14-15-34-53(8)19-17-36(51(5,6)33(53)16-20-54(34,9)55(28,10)22-35(56)59)75-47-43(65)41(63)40(62)32(73-47)26-72-48-44(39(61)31(58)25-71-48)76-46-42(64)38(60)30(57)24-70-46/h11,13-14,29-44,46-48,57-65,69H,1,12,15-26H2,2-10H3,(H,67,68)/b27-13+/t29-,30-,31-,32+,33-,34+,35+,36-,37-,38-,39-,40+,41-,42+,43+,44+,46-,47-,48-,52?,53-,54+,55+,56+/m0/s1

InChIKey

InChIKey=YUSORMABKYDIFX-XEDRVKCFSA-N

SMILES

C(O)(=O)[C@]12[C@](C=3[C@@](C)(C[C@H]1O)[C@@]4(C)[C@](CC3)([C@]5(C)[C@@](CC4)(C(C)(C)[C@@H](O[C@@H]6O[C@H](CO[C@H]7[C@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O)CO8)[C@@H](O)[C@@H](O)CO7)[C@@H](O)[C@H](O)[C@H]6O)CC5)[H])[H])(CC(C)(C)[C@@H](OC(/C(=C/CCC(C=C)(C)O)/C)=O)C2)[H]

Canonical SMILES

O=C(O)C12CC(OC(=O)C(=CCCC(O)(C=C)C)C)C(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(COC7OCC(O)C(O)C7OC8OCC(O)C(O)C8O)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CC1O

Other Names for this Substance

  • Olean-12-en-28-oic acid, 3-[(O-α-L-arabinopyranosyl-(1→2)-O-α-L-arabinopyranosyl-(1→6)-β-D-glucopyranosyl)oxy]-16-hydroxy-21-[[(2E)-6-hydroxy-2,6-dimethyl-1-oxo-2,7-octadienyl]oxy]-, (3β,16α,21β)-
  • Pithecelloside
  • 3-O-[α-L-Arabinopyranosyl-(1→2)-α-L-arabinopyranosyl-(1→6)-β-D-glucopyranosyl]-21β-O-[(2′E)-6′-hydroxy-2′,6′-dimethylocta-2′,7′-dienoyl]acacic acid

CAS INSIGHTSTM
Lithium-ion battery