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

CAS Registry Number®

329969-11-1
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CAS Name

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

Molecular Formula

C65H106O32

Molecular Mass

1399.52

Cite this Page

Olean-12-en-28-oic acid, 3-[(O-β-D-glucopyranosyl-(1→3)-O-[O-β-D-glucopyranosyl-(1→6)-β-D-glucopyranosyl-(1→2)]-α-L-arabinopyranosyl)oxy]-, 6-O-β-D-glucopyranosyl-β-D-glucopyranosyl ester, (3β)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=329969-11-1 (retrieved 2024-09-19) (CAS RN: 329969-11-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C65H106O32/c1-60(2)14-16-65(59(85)97-57-50(84)45(79)40(74)32(93-57)24-88-54-47(81)42(76)37(71)29(20-67)90-54)17-15-63(6)25(26(65)18-60)8-9-34-62(5)12-11-35(61(3,4)33(62)10-13-64(34,63)7)94-58-52(51(27(69)22-86-58)95-55-48(82)43(77)38(72)30(21-68)91-55)96-56-49(83)44(78)39(73)31(92-56)23-87-53-46(80)41(75)36(70)28(19-66)89-53/h8,26-58,66-84H,9-24H2,1-7H3/t26-,27-,28+,29+,30+,31+,32+,33-,34+,35-,36+,37+,38+,39+,40+,41-,42-,43-,44-,45-,46+,47+,48+,49+,50+,51-,52+,53+,54+,55-,56-,57-,58-,62-,63+,64+,65-/m0/s1

InChIKey

InChIKey=XYUAQIXBEQTBRE-KNNCJFCRSA-N

SMILES

C(O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)(=O)[C@]34[C@](C=5[C@@](C)(CC3)[C@@]6(C)[C@](CC5)([C@]7(C)[C@@](CC6)(C(C)(C)[C@@H](O[C@H]8[C@H](O[C@@H]9O[C@H](CO[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@@H](O)[C@H](O)[C@H]9O)[C@@H](O[C@@H]%11O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%11O)[C@@H](O)CO8)CC7)[H])[H])(CC(C)(C)CC4)[H]

Canonical SMILES

O=C(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C34CCC(C)(C)CC4C5=CCC6C7(C)CCC(OC8OCC(O)C(OC9OC(CO)C(O)C(O)C9O)C8OC%10OC(COC%11OC(CO)C(O)C(O)C%11O)C(O)C(O)C%10O)C(C)(C)C7CCC6(C)C5(C)CC3

Other Names for this Substance

  • Olean-12-en-28-oic acid, 3-[(O-β-D-glucopyranosyl-(1→3)-O-[O-β-D-glucopyranosyl-(1→6)-β-D-glucopyranosyl-(1→2)]-α-L-arabinopyranosyl)oxy]-, 6-O-β-D-glucopyranosyl-β-D-glucopyranosyl ester, (3β)-
  • Congmunoside XII