β-D-Glucopyranosiduronic acid, (3β,4β,22β)-22-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-23-hydroxyolean-12-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-β-D-galactopyranosyl-(1→2)-

CAS Registry Number®

130444-08-5

CAS Name

β-D-Glucopyranosiduronic acid, (3β,4β,22β)-22-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-23-hydroxyolean-12-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-β-D-galactopyranosyl-(1→2)-

Molecular Formula

C60H98O28

Molecular Mass

1267.40

Cite this Page

β-D-Glucopyranosiduronic acid, (3β,4β,22β)-22-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-23-hydroxyolean-12-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-β-D-galactopyranosyl-(1→2)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=130444-08-5 (retrieved 2024-11-05) (CAS RN: 130444-08-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C60H98O28/c1-23-33(65)37(69)43(75)50(79-23)86-47-40(72)36(68)28(21-63)82-53(47)88-48-42(74)41(73)45(49(77)78)85-54(48)83-31-12-13-57(5)29(58(31,6)22-64)11-14-60(8)30(57)10-9-24-25-17-55(2,3)18-32(56(25,4)15-16-59(24,60)7)84-52-46(39(71)35(67)27(20-62)81-52)87-51-44(76)38(70)34(66)26(19-61)80-51/h9,23,25-48,50-54,61-76H,10-22H2,1-8H3,(H,77,78)/t23-,25-,26+,27+,28+,29+,30+,31-,32+,33-,34+,35+,36-,37+,38-,39-,40-,41-,42-,43+,44+,45-,46+,47+,48+,50-,51-,52-,53-,54+,56+,57-,58+,59+,60+/m0/s1

InChIKey

InChIKey=OGJALRFDUFLIDX-ZHAZELLBSA-N

SMILES

C[C@]12[C@@]([C@]3(C)[C@@](CC1)([C@](CO)(C)[C@@H](O[C@H]4[C@H](O[C@H]5[C@H](O[C@H]6[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O6)[C@@H](O)[C@@H](O)[C@@H](CO)O5)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O4)CC3)[H])(CC=C7[C@@]2(C)CC[C@]8(C)[C@]7(CC(C)(C)C[C@H]8O[C@H]9[C@H](O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@@H](O)[C@H](O)[C@@H](CO)O9)[H])[H]

Canonical SMILES

O=C(O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C5C6CC(C)(C)CC(OC7OC(CO)C(O)C(O)C7OC8OC(CO)C(O)C(O)C8O)C6(C)CCC54C)C2(C)CO)C(OC9OC(CO)C(O)C(O)C9OC%10OC(C)C(O)C(O)C%10O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, (3β,4β,22β)-22-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-23-hydroxyolean-12-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-β-D-galactopyranosyl-(1→2)-
  • Oleanane, β-D-glucopyranosiduronic acid deriv.
  • Bersimoside I

Deleted or Replaced CAS Registry Numbers

189220-81-3

CAS INSIGHTSTM
Abstract Background of Blurry Golden Particles