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

CAS Registry Number®

120039-30-7

CAS Name

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

Molecular Formula

C52H82O23

Molecular Mass

1075.19

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-(β-D-glucopyranosyloxy)-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=120039-30-7 (retrieved 2024-11-24) (CAS RN: 120039-30-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C52H82O23/c1-21-38(72-41-35(62)30(57)25(55)19-68-41)34(61)37(64)42(70-21)73-39-31(58)26(56)20-69-44(39)75-46(67)52-14-12-47(2,3)16-23(52)22-8-9-28-48(4)17-24(54)40(74-43-36(63)33(60)32(59)27(18-53)71-43)51(7,45(65)66)29(48)10-11-50(28,6)49(22,5)13-15-52/h8,21,23-44,53-64H,9-20H2,1-7H3,(H,65,66)/t21-,23-,24-,25+,26-,27+,28+,29+,30-,31-,32+,33-,34-,35+,36+,37+,38-,39+,40-,41-,42-,43-,44-,48+,49+,50+,51-,52-/m0/s1

InChIKey

InChIKey=VHMKOKUNAPLSBJ-QHUIUOSZSA-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]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[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)C2O)C(O)CC3(C)C1CCC4(C)C3CC=C5C6CC(C)(C)CCC6(C(=O)OC7OCC(O)C(O)C7OC8OC(C)C(OC9OCC(O)C(O)C9O)C(O)C8O)CCC54C

Other Names for this Substance

  • Olean-12-ene-23,28-dioic acid, 3-(β-D-glucopyranosyloxy)-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-(β-D-glucopyranosyloxy)-2-hydroxyolean-12-ene-23,28-dioate

Deleted or Replaced CAS Registry Numbers

868560-67-2, 189380-76-5

CAS INSIGHTSTM
Hourglass and a clock