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

CAS Registry Number®

189161-61-3

CAS Name

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

Molecular Formula

C46H74O16

Molecular Mass

883.07

Cite this Page

(3β)-3-[(O-α-L-Arabinopyranosyl-(1→2)-O-α-L-arabinopyranosyl-(1→6)-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=189161-61-3 (retrieved 2024-11-05) (CAS RN: 189161-61-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C46H74O16/c1-41(2)14-16-46(40(55)56)17-15-44(6)22(23(46)18-41)8-9-28-43(5)12-11-29(42(3,4)27(43)10-13-45(28,44)7)61-38-35(54)33(52)32(51)26(60-38)21-59-39-36(31(50)25(48)20-58-39)62-37-34(53)30(49)24(47)19-57-37/h8,23-39,47-54H,9-21H2,1-7H3,(H,55,56)/t23-,24-,25-,26+,27-,28+,29-,30-,31-,32+,33-,34+,35+,36+,37-,38-,39-,43-,44+,45+,46-/m0/s1

InChIKey

InChIKey=WBBKABSSSHJZGN-QPOONPPESA-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]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)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)C6O)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)-β-D-glucopyranosyl)oxy]-, (3β)-
  • (3β)-3-[(O-α-L-Arabinopyranosyl-(1→2)-O-α-L-arabinopyranosyl-(1→6)-β-D-glucopyranosyl)oxy]olean-12-en-28-oic acid
  • Pitheduloside B
  • 3-O-α-L-Arabinopyranosyl(1→2)-α-L-arabinopyranosyl(1→6)-β-D-glucopyranosyloleanolic acid

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