28-(O-β-D-Xylopyranosyl-(1→4)-O-6-deoxy-α-L-mannopyranosyl-(1→2)-α-L-arabinopyranosyl) (2β,3β,4α)-3-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-2-hydroxyolean-12-ene-23,28-dioate

CAS Registry Number®

120039-31-8

CAS Name

28-(O-β-D-Xylopyranosyl-(1→4)-O-6-deoxy-α-L-mannopyranosyl-(1→2)-α-L-arabinopyranosyl) (2β,3β,4α)-3-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-2-hydroxyolean-12-ene-23,28-dioate

Molecular Formula

C58H92O28

Molecular Mass

1237.33

Cite this Page

28-(O-β-D-Xylopyranosyl-(1→4)-O-6-deoxy-α-L-mannopyranosyl-(1→2)-α-L-arabinopyranosyl) (2β,3β,4α)-3-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-2-hydroxyolean-12-ene-23,28-dioate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=120039-31-8 (retrieved 2024-11-23) (CAS RN: 120039-31-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C58H92O28/c1-22-42(82-46-39(71)32(64)26(62)20-77-46)38(70)41(73)47(79-22)83-43-33(65)27(63)21-78-49(43)86-52(76)58-14-12-53(2,3)16-24(58)23-8-9-30-54(4)17-25(61)45(57(7,51(74)75)31(54)10-11-56(30,6)55(23,5)13-15-58)85-50-44(37(69)35(67)29(19-60)81-50)84-48-40(72)36(68)34(66)28(18-59)80-48/h8,22,24-50,59-73H,9-21H2,1-7H3,(H,74,75)/t22-,24-,25-,26+,27-,28+,29+,30+,31+,32-,33-,34+,35+,36-,37-,38-,39+,40+,41+,42-,43+,44+,45-,46-,47-,48-,49-,50-,54+,55+,56+,57-,58-/m0/s1

InChIKey

InChIKey=GKRMBTQHEPCVKU-GJVFGLTASA-N

SMILES

C(O[C@H]1[C@H](O[C@H]2[C@H](O)[C@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)CO3)[C@H](C)O2)[C@@H](O)[C@@H](O)CO1)(=O)[C@]45[C@](C=6[C@@](C)(CC4)[C@@]7(C)[C@](CC6)([C@]8(C)[C@@](CC7)([C@@](C(O)=O)(C)[C@@H](O[C@H]9[C@H](O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@@H](O)[C@H](O)[C@@H](CO)O9)[C@@H](O)C8)[H])[H])(CC(C)(C)CC5)[H]

Canonical SMILES

O=C(O)C1(C)C(OC2OC(CO)C(O)C(O)C2OC3OC(CO)C(O)C(O)C3O)C(O)CC4(C)C1CCC5(C)C4CC=C6C7CC(C)(C)CCC7(C(=O)OC8OCC(O)C(O)C8OC9OC(C)C(OC%10OCC(O)C(O)C%10O)C(O)C9O)CCC65C

Other Names for this Substance

  • Olean-12-ene-23,28-dioic acid, 3-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-2-hydroxy-, 28-(O-β-D-xylopyranosyl-(1→4)-O-6-deoxy-α-L-mannopyranosyl-(1→2)-α-L-arabinopyranosyl) ester, (2β,3β,4α)-
  • 28-(O-β-D-Xylopyranosyl-(1→4)-O-6-deoxy-α-L-mannopyranosyl-(1→2)-α-L-arabinopyranosyl) (2β,3β,4α)-3-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-2-hydroxyolean-12-ene-23,28-dioate

Deleted or Replaced CAS Registry Numbers

532993-16-1, 189380-77-6

CAS INSIGHTSTM
Hourglass and a clock