O-6-Deoxy-α-L-mannopyranosyl-(1→4)-O-β-D-glucopyranosyl-(1→6)-β-D-glucopyranosyl (3β,4α)-3-[(2,3-di-O-acetyl-α-L-arabinopyranosyl)oxy]-23-hydroxyolean-12-en-28-oate

CAS Registry Number®

1332859-41-2

CAS Name

O-6-Deoxy-α-L-mannopyranosyl-(1→4)-O-β-D-glucopyranosyl-(1→6)-β-D-glucopyranosyl (3β,4α)-3-[(2,3-di-O-acetyl-α-L-arabinopyranosyl)oxy]-23-hydroxyolean-12-en-28-oate

Molecular Formula

C57H90O24

Molecular Mass

1159.31

Cite this Page

O-6-Deoxy-α-L-mannopyranosyl-(1→4)-O-β-D-glucopyranosyl-(1→6)-β-D-glucopyranosyl (3β,4α)-3-[(2,3-di-O-acetyl-α-L-arabinopyranosyl)oxy]-23-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=1332859-41-2 (retrieved 2024-11-22) (CAS RN: 1332859-41-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C57H90O24/c1-25-36(63)38(65)41(68)48(74-25)80-45-31(21-58)77-47(43(70)40(45)67)73-23-32-37(64)39(66)42(69)49(78-32)81-51(71)57-18-16-52(4,5)20-29(57)28-10-11-34-53(6)14-13-35(54(7,24-59)33(53)12-15-56(34,9)55(28,8)17-19-57)79-50-46(76-27(3)61)44(75-26(2)60)30(62)22-72-50/h10,25,29-50,58-59,62-70H,11-24H2,1-9H3/t25-,29-,30-,31+,32+,33+,34+,35-,36-,37+,38+,39-,40+,41+,42+,43+,44-,45+,46+,47+,48-,49-,50-,53-,54-,55+,56+,57-/m0/s1

InChIKey

InChIKey=HBSDEWNSVWHBTJ-KLLXAMJLSA-N

SMILES

C(O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)(=O)[C@]45[C@](C=6[C@@](C)(CC4)[C@@]7(C)[C@](CC6)([C@]8(C)[C@@](CC7)([C@@](CO)(C)[C@@H](O[C@H]9[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](O)CO9)CC8)[H])[H])(CC(C)(C)CC5)[H]

Canonical SMILES

O=C(OC1C(O)COC(OC2CCC3(C)C(CCC4(C)C3CC=C5C6CC(C)(C)CCC6(C(=O)OC7OC(COC8OC(CO)C(OC9OC(C)C(O)C(O)C9O)C(O)C8O)C(O)C(O)C7O)CCC54C)C2(C)CO)C1OC(=O)C)C

Other Names for this Substance

  • Olean-12-en-28-oic acid, 3-[(2,3-di-O-acetyl-α-L-arabinopyranosyl)oxy]-23-hydroxy-, O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-β-D-glucopyranosyl-(1→6)-β-D-glucopyranosyl ester, (3β,4α)-
  • O-6-Deoxy-α-L-mannopyranosyl-(1→4)-O-β-D-glucopyranosyl-(1→6)-β-D-glucopyranosyl (3β,4α)-3-[(2,3-di-O-acetyl-α-L-arabinopyranosyl)oxy]-23-hydroxyolean-12-en-28-oate
  • 3-O-[2,3-Di-O-acetyl-α-L-arabinopyranosyl]hederagenin 28-O-α-L-rhamnopyranosyl-(1→4)-β-D-glucopyranosyl-(1→6)-β-D-glucopyranoside

CAS INSIGHTSTM
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