O-β-D-Glucopyranosyl-(1→4)-O-β-D-glucopyranosyl-(1→6)-β-D-glucopyranosyl (3β)-3-[(O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→3)]-α-L-arabinopyranosyl)oxy]urs-12-en-28-oate

CAS Registry Number®

178330-60-4

CAS Name

O-β-D-Glucopyranosyl-(1→4)-O-β-D-glucopyranosyl-(1→6)-β-D-glucopyranosyl (3β)-3-[(O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→3)]-α-L-arabinopyranosyl)oxy]urs-12-en-28-oate

Molecular Formula

C65H106O31

Molecular Mass

1383.52

Cite this Page

O-β-D-Glucopyranosyl-(1→4)-O-β-D-glucopyranosyl-(1→6)-β-D-glucopyranosyl (3β)-3-[(O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→3)]-α-L-arabinopyranosyl)oxy]urs-12-en-28-oate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=178330-60-4 (retrieved 2025-01-09) (CAS RN: 178330-60-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C65H106O31/c1-24-11-16-65(60(84)96-58-49(82)44(77)40(73)32(91-58)23-86-54-50(83)45(78)52(31(21-68)90-54)94-57-48(81)43(76)39(72)30(20-67)89-57)18-17-63(7)27(36(65)25(24)2)9-10-34-62(6)14-13-35(61(4,5)33(62)12-15-64(34,63)8)92-59-53(95-55-46(79)41(74)37(70)26(3)87-55)51(28(69)22-85-59)93-56-47(80)42(75)38(71)29(19-66)88-56/h9,24-26,28-59,66-83H,10-23H2,1-8H3/t24-,25+,26+,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+,62+,63-,64-,65+/m1/s1

InChIKey

InChIKey=KQIHCENNAZOODK-WQPGOZKPSA-N

SMILES

C(O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)(=O)[C@]45[C@](C=6[C@@](C)(CC4)[C@@]7(C)[C@](CC6)([C@]8(C)[C@@](CC7)(C(C)(C)[C@@H](O[C@H]9[C@H](O[C@H]%10[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O%10)[C@@H](O[C@@H]%11O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%11O)[C@@H](O)CO9)CC8)[H])[H])([C@@H](C)[C@H](C)CC5)[H]

Canonical SMILES

O=C(OC1OC(COC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O)C45CCC(C)C(C)C5C6=CCC7C8(C)CCC(OC9OCC(O)C(OC%10OC(CO)C(O)C(O)C%10O)C9OC%11OC(C)C(O)C(O)C%11O)C(C)(C)C8CCC7(C)C6(C)CC4

Other Names for this Substance

  • Urs-12-en-28-oic acid, 3-[(O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→3)]-α-L-arabinopyranosyl)oxy]-, O-β-D-glucopyranosyl-(1→4)-O-β-D-glucopyranosyl-(1→6)-β-D-glucopyranosyl ester, (3β)-
  • O-β-D-Glucopyranosyl-(1→4)-O-β-D-glucopyranosyl-(1→6)-β-D-glucopyranosyl (3β)-3-[(O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→3)]-α-L-arabinopyranosyl)oxy]urs-12-en-28-oate
  • Matesaponin 5

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