(3β)-3-[(O-α-L-Arabinopyranosyl-(1→2)-O-α-L-arabinopyranosyl-(1→6)-O-[β-D-glucopyranosyl-(1→2)]-β-D-glucopyranosyl)oxy]olean-12-en-28-oic acid

CAS Registry Number®

189161-87-3

CAS Name

(3β)-3-[(O-α-L-Arabinopyranosyl-(1→2)-O-α-L-arabinopyranosyl-(1→6)-O-[β-D-glucopyranosyl-(1→2)]-β-D-glucopyranosyl)oxy]olean-12-en-28-oic acid

Molecular Formula

C52H84O21

Molecular Mass

1045.21

Cite this Page

(3β)-3-[(O-α-L-Arabinopyranosyl-(1→2)-O-α-L-arabinopyranosyl-(1→6)-O-[β-D-glucopyranosyl-(1→2)]-β-D-glucopyranosyl)oxy]olean-12-en-28-oic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=189161-87-3 (retrieved 2024-11-14) (CAS RN: 189161-87-3).  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(64)65)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)71-45-41(73-43-39(63)36(60)34(58)27(19-53)69-43)37(61)35(59)28(70-45)22-68-44-40(33(57)26(55)21-67-44)72-42-38(62)32(56)25(54)20-66-42/h8,24-45,53-63H,9-22H2,1-7H3,(H,64,65)/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=KFZSKNXELYGVEA-IKDIIPBYSA-N

SMILES

C[C@]12C([C@]3([C@@](C(O)=O)(CC1)CCC(C)(C)C3)[H])=CC[C@]4([C@@]2(C)CC[C@@]5([C@]4(C)CC[C@H](O[C@H]6[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]8[C@H](O[C@H]9[C@H](O)[C@@H](O)[C@@H](O)CO9)[C@@H](O)[C@@H](O)CO8)O6)C5(C)C)[H])[H]

Canonical SMILES

O=C(O)C12CCC(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(COC7OCC(O)C(O)C7OC8OCC(O)C(O)C8O)C(O)C(O)C6OC9OC(CO)C(O)C(O)C9O)C(C)(C)C5CCC4(C)C3(C)CC1

Other Names for this Substance

  • Olean-12-en-28-oic acid, 3-[(O-α-L-arabinopyranosyl-(1→2)-O-α-L-arabinopyranosyl-(1→6)-O-[β-D-glucopyranosyl-(1→2)]-β-D-glucopyranosyl)oxy]-, (3β)-
  • (3β)-3-[(O-α-L-Arabinopyranosyl-(1→2)-O-α-L-arabinopyranosyl-(1→6)-O-[β-D-glucopyranosyl-(1→2)]-β-D-glucopyranosyl)oxy]olean-12-en-28-oic acid
  • Pitheduloside F

CAS INSIGHTSTM
Abstract Background of Blurry Golden Particles