2-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl (2α,3β,4α)-3-(β-D-glucopyranosyloxy)-2,23-dihydroxyurs-12-en-28-oate

CAS Registry Number®

1268696-95-2

CAS Name

2-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl (2α,3β,4α)-3-(β-D-glucopyranosyloxy)-2,23-dihydroxyurs-12-en-28-oate

Molecular Formula

C48H78O19

Molecular Mass

959.12

Cite this Page

2-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl (2α,3β,4α)-3-(β-D-glucopyranosyloxy)-2,23-dihydroxyurs-12-en-28-oate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1268696-95-2 (retrieved 2025-01-20) (CAS RN: 1268696-95-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C48H78O19/c1-20-10-13-48(43(61)67-42-38(35(58)32(55)26(18-50)64-42)65-40-36(59)33(56)30(53)22(3)62-40)15-14-46(6)23(29(48)21(20)2)8-9-28-44(4)16-24(52)39(45(5,19-51)27(44)11-12-47(28,46)7)66-41-37(60)34(57)31(54)25(17-49)63-41/h8,20-22,24-42,49-60H,9-19H2,1-7H3/t20-,21+,22+,24-,25-,26-,27-,28-,29+,30+,31-,32-,33-,34+,35+,36-,37-,38-,39+,40+,41+,42+,44+,45+,46-,47-,48+/m1/s1

InChIKey

InChIKey=QGCLLCJIKJBHAU-OFUNTZFBSA-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@@](CO)(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])([C@@H](C)[C@H](C)CC4)[H]

Canonical SMILES

O=C(OC1OC(CO)C(O)C(O)C1OC2OC(C)C(O)C(O)C2O)C34CCC(C)C(C)C4C5=CCC6C7(C)CC(O)C(OC8OC(CO)C(O)C(O)C8O)C(C)(CO)C7CCC6(C)C5(C)CC3

Other Names for this Substance

  • Urs-12-en-28-oic acid, 3-(β-D-glucopyranosyloxy)-2,23-dihydroxy-, 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl ester, (2α,3β,4α)-
  • 2-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl (2α,3β,4α)-3-(β-D-glucopyranosyloxy)-2,23-dihydroxyurs-12-en-28-oate
  • 3-O-[β-D-Glucopyranosyl]-28-O-[α-L-rhamnopyranosyl-(1→2)-β-D-glucopyranosyl]asiatic acid