2-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl (2α,3β)-3-(β-D-glucopyranosyloxy)-2-hydroxyolean-12-en-28-oate

CAS Registry Number®

1268696-94-1

CAS Name

2-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl (2α,3β)-3-(β-D-glucopyranosyloxy)-2-hydroxyolean-12-en-28-oate

Molecular Formula

C48H78O18

Molecular Mass

943.12

Cite this Page

2-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl (2α,3β)-3-(β-D-glucopyranosyloxy)-2-hydroxyolean-12-en-28-oate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1268696-94-1 (retrieved 2024-11-22) (CAS RN: 1268696-94-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C48H78O18/c1-21-29(52)32(55)35(58)39(61-21)64-37-34(57)31(54)26(20-50)63-41(37)66-42(60)48-15-13-43(2,3)17-23(48)22-9-10-28-45(6)18-24(51)38(65-40-36(59)33(56)30(53)25(19-49)62-40)44(4,5)27(45)11-12-47(28,8)46(22,7)14-16-48/h9,21,23-41,49-59H,10-20H2,1-8H3/t21-,23-,24+,25+,26+,27-,28+,29-,30+,31+,32+,33-,34-,35+,36+,37+,38-,39-,40-,41-,45-,46+,47+,48-/m0/s1

InChIKey

InChIKey=IKQKYNWOONQHQK-DVSNLDMXSA-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)[C@@H](CO)O1)(=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]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(OC1OC(CO)C(O)C(O)C1OC2OC(C)C(O)C(O)C2O)C34CCC(C)(C)CC4C5=CCC6C7(C)CC(O)C(OC8OC(CO)C(O)C(O)C8O)C(C)(C)C7CCC6(C)C5(C)CC3

Other Names for this Substance

  • Olean-12-en-28-oic acid, 3-(β-D-glucopyranosyloxy)-2-hydroxy-, 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl ester, (2α,3β)-
  • 2-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl (2α,3β)-3-(β-D-glucopyranosyloxy)-2-hydroxyolean-12-en-28-oate
  • 3-O-[β-D-Glucopyranosyl]-28-O-[α-L-rhamnopyranosyl-(1→2)-β-D-glucopyranosyl]maslinic acid