(3β)-3-[(O-β-D-Galactopyranosyl-(1→3)-O-[β-D-glucopyranosyl-(1→2)]-β-D-glucopyranosyl)oxy]olean-12-en-28-oic acid

CAS Registry Number®

58231-97-3
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CAS Name

(3β)-3-[(O-β-D-Galactopyranosyl-(1→3)-O-[β-D-glucopyranosyl-(1→2)]-β-D-glucopyranosyl)oxy]olean-12-en-28-oic acid

Molecular Formula

C48H78O18

Molecular Mass

943.12

Cite this Page

(3β)-3-[(O-β-D-Galactopyranosyl-(1→3)-O-[β-D-glucopyranosyl-(1→2)]-β-D-glucopyranosyl)oxy]olean-12-en-28-oic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=58231-97-3 (retrieved 2024-05-03) (CAS RN: 58231-97-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C48H78O18/c1-43(2)14-16-48(42(59)60)17-15-46(6)22(23(48)18-43)8-9-28-45(5)12-11-29(44(3,4)27(45)10-13-47(28,46)7)64-41-38(66-40-36(58)34(56)31(53)25(20-50)62-40)37(32(54)26(21-51)63-41)65-39-35(57)33(55)30(52)24(19-49)61-39/h8,23-41,49-58H,9-21H2,1-7H3,(H,59,60)/t23-,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=OGKRHYLZKFTGGO-RHFDSUMBSA-N

SMILES

C[C@]12[C@@]3(C)C([C@]4([C@@](C(O)=O)(CC3)CCC(C)(C)C4)[H])=CC[C@@]1([C@]5(C)[C@@](CC2)(C(C)(C)[C@@H](O[C@H]6[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@@H](CO)O6)CC5)[H])[H]

Canonical SMILES

O=C(O)C12CCC(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC8OC(CO)C(O)C(O)C8O)C(C)(C)C5CCC4(C)C3(C)CC1

Other Names for this Substance

  • Olean-12-en-28-oic acid, 3-[(O-β-D-galactopyranosyl-(1→3)-O-[β-D-glucopyranosyl-(1→2)]-β-D-glucopyranosyl)oxy]-, (3β)-
  • (3β)-3-[(O-β-D-Galactopyranosyl-(1→3)-O-[β-D-glucopyranosyl-(1→2)]-β-D-glucopyranosyl)oxy]olean-12-en-28-oic acid
  • Calenduloside C
  • Arvensoside D
  • Elateroside B

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