Olean-12-en-28-oic acid, 3-[(O-β-D-glucopyranosyl-(1→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®

329969-12-2

CAS Name

Olean-12-en-28-oic acid, 3-[(O-β-D-glucopyranosyl-(1→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

C71H116O37

Molecular Mass

1561.66

Cite this Page

Olean-12-en-28-oic acid, 3-[(O-β-D-glucopyranosyl-(1→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=329969-12-2 (retrieved 2024-11-25) (CAS RN: 329969-12-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C71H116O37/c1-66(2)14-16-71(65(94)108-62-53(92)48(87)42(81)34(103-62)25-97-59-50(89)45(84)39(78)30(20-73)99-59)17-15-69(6)26(27(71)18-66)8-9-36-68(5)12-11-37(67(3,4)35(68)10-13-70(36,69)7)104-64-57(107-61-52(91)47(86)41(80)33(102-61)24-96-58-49(88)44(83)38(77)29(19-72)98-58)55(28(76)23-95-64)105-63-54(93)56(43(82)32(22-75)101-63)106-60-51(90)46(85)40(79)31(21-74)100-60/h8,27-64,72-93H,9-25H2,1-7H3/t27-,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+,59+,60-,61-,62-,63-,64-,68-,69+,70+,71-/m0/s1

InChIKey

InChIKey=BIHRHVZSOZTEPC-AWNRXXJISA-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]%11[C@H](O)[C@@H](O[C@@H]%12O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%12O)[C@H](O)[C@@H](CO)O%11)[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(OC%10OC(CO)C(O)C(O)C%10O)C9O)C8OC%11OC(COC%12OC(CO)C(O)C(O)C%12O)C(O)C(O)C%11O)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-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 XIII

CAS INSIGHTSTM
Hourglass and a clock