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

CAS Registry Number®

97240-03-4
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CAS Name

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

Molecular Formula

C61H98O27

Molecular Mass

1263.41

Cite this Page

O-6-Deoxy-α-L-mannopyranosyl-(1→4)-O-6-O-acetyl-β-D-glucopyranosyl-(1→6)-β-D-glucopyranosyl (3β,4α)-3-[[2-O-(6-deoxy-α-L-mannopyranosyl)-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=97240-03-4 (retrieved 2024-09-07) (CAS RN: 97240-03-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C61H98O27/c1-25-36(65)40(69)44(73)51(81-25)86-48-32(23-78-27(3)63)84-50(47(76)43(48)72)80-22-31-39(68)42(71)46(75)53(83-31)88-55(77)61-18-16-56(4,5)20-29(61)28-10-11-34-57(6)14-13-35(58(7,24-62)33(57)12-15-60(34,9)59(28,8)17-19-61)85-54-49(38(67)30(64)21-79-54)87-52-45(74)41(70)37(66)26(2)82-52/h10,25-26,29-54,62,64-76H,11-24H2,1-9H3/t25-,26-,29-,30-,31+,32+,33+,34+,35-,36-,37-,38-,39+,40+,41+,42-,43+,44+,45+,46+,47+,48+,49+,50+,51-,52-,53-,54-,57-,58-,59+,60+,61-/m0/s1

InChIKey

InChIKey=YYMHTAGTVKFQOP-KZYQMVRLSA-N

SMILES

C(O[C@@H]1O[C@H](CO[C@@H]2O[C@H](COC(C)=O)[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](O[C@H]%10[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O%10)[C@@H](O)[C@@H](O)CO9)CC8)[H])[H])(CC(C)(C)CC5)[H]

Canonical SMILES

O=C(OCC1OC(OCC2OC(OC(=O)C34CCC(C)(C)CC4C5=CCC6C7(C)CCC(OC8OCC(O)C(O)C8OC9OC(C)C(O)C(O)C9O)C(C)(CO)C7CCC6(C)C5(C)CC3)C(O)C(O)C2O)C(O)C(O)C1OC%10OC(C)C(O)C(O)C%10O)C

Other Names for this Substance

  • Olean-12-en-28-oic acid, 3-[[2-O-(6-deoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy]-23-hydroxy-, O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-6-O-acetyl-β-D-glucopyranosyl-(1→6)-β-D-glucopyranosyl ester, (3β,4α)-
  • O-6-Deoxy-α-L-mannopyranosyl-(1→4)-O-6-O-acetyl-β-D-glucopyranosyl-(1→6)-β-D-glucopyranosyl (3β,4α)-3-[[2-O-(6-deoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy]-23-hydroxyolean-12-en-28-oate
  • Kizuta saponin K11

Deleted or Replaced CAS Registry Numbers

100662-11-1