28-[2-O-(6-Deoxy-α-L-mannopyranosyl)-β-L-arabinopyranosyl] (2β,3β,4α)-3-(β-D-glucopyranosyloxy)-2-hydroxyolean-12-ene-23,28-dioate

CAS Registry Number®

125448-43-3

CAS Name

28-[2-O-(6-Deoxy-α-L-mannopyranosyl)-β-L-arabinopyranosyl] (2β,3β,4α)-3-(β-D-glucopyranosyloxy)-2-hydroxyolean-12-ene-23,28-dioate

Molecular Formula

C47H74O19

Molecular Mass

943.08

Cite this Page

28-[2-O-(6-Deoxy-α-L-mannopyranosyl)-β-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=125448-43-3 (retrieved 2024-11-22) (CAS RN: 125448-43-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C47H74O19/c1-20-28(51)31(54)33(56)37(62-20)64-35-29(52)24(50)19-61-39(35)66-41(60)47-14-12-42(2,3)16-22(47)21-8-9-26-43(4)17-23(49)36(65-38-34(57)32(55)30(53)25(18-48)63-38)46(7,40(58)59)27(43)10-11-45(26,6)44(21,5)13-15-47/h8,20,22-39,48-57H,9-19H2,1-7H3,(H,58,59)/t20-,22-,23-,24-,25+,26+,27+,28-,29-,30+,31+,32-,33+,34+,35+,36-,37-,38-,39+,43+,44+,45+,46-,47-/m0/s1

InChIKey

InChIKey=HLNPLLKKVMGOKC-KDYQPBAUSA-N

SMILES

C(O[C@@H]1[C@H](O[C@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O2)[C@@H](O)[C@@H](O)CO1)(=O)[C@]34[C@](C=5[C@@](C)(CC3)[C@@]6(C)[C@](CC5)([C@]7(C)[C@@](CC6)([C@@](C(O)=O)(C)[C@@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)C7)[H])[H])(CC(C)(C)CC4)[H]

Canonical SMILES

O=C(O)C1(C)C(OC2OC(CO)C(O)C(O)C2O)C(O)CC3(C)C4CC=C5C6CC(C)(C)CCC6(C(=O)OC7OCC(O)C(O)C7OC8OC(C)C(O)C(O)C8O)CCC5(C)C4(C)CCC13

Other Names for this Substance

  • Olean-12-ene-23,28-dioic acid, 3-(β-D-glucopyranosyloxy)-2-hydroxy-, 28-[2-O-(6-deoxy-α-L-mannopyranosyl)-β-L-arabinopyranosyl] ester, (2β,3β,4α)-
  • 28-[2-O-(6-Deoxy-α-L-mannopyranosyl)-β-L-arabinopyranosyl] (2β,3β,4α)-3-(β-D-glucopyranosyloxy)-2-hydroxyolean-12-ene-23,28-dioate
  • Medicoside H

CAS INSIGHTSTM
Targeted protein degrader structure, illustration