α-D-Glucopyranosyl (3β)-3-[(4-O-β-D-galactopyranosyl-β-D-glucopyranosyl)oxy]olean-12-en-28-oate

CAS Registry Number®

34381-98-1

CAS Name

α-D-Glucopyranosyl (3β)-3-[(4-O-β-D-galactopyranosyl-β-D-glucopyranosyl)oxy]olean-12-en-28-oate

Molecular Formula

C48H78O18

Molecular Mass

943.12

Cite this Page

α-D-Glucopyranosyl (3β)-3-[(4-O-β-D-galactopyranosyl-β-D-glucopyranosyl)oxy]olean-12-en-28-oate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=34381-98-1 (retrieved 2024-11-12) (CAS RN: 34381-98-1).  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(60)66-41-36(58)33(55)31(53)25(20-50)62-41)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)64-39-37(59)34(56)38(26(21-51)63-39)65-40-35(57)32(54)30(52)24(19-49)61-40/h8,23-41,49-59H,9-21H2,1-7H3/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=NAIMCEFAGOEXSH-WTAQRHANSA-N

SMILES

C(O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)(=O)[C@]23[C@](C=4[C@@](C)(CC2)[C@@]5(C)[C@](CC4)([C@]6(C)[C@@](CC5)(C(C)(C)[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)CC6)[H])[H])(CC(C)(C)CC3)[H]

Canonical SMILES

O=C(OC1OC(CO)C(O)C(O)C1O)C23CCC(C)(C)CC3C4=CCC5C6(C)CCC(OC7OC(CO)C(OC8OC(CO)C(O)C(O)C8O)C(O)C7O)C(C)(C)C6CCC5(C)C4(C)CC2

Other Names for this Substance

  • Olean-12-en-28-oic acid, 3-[(4-O-β-D-galactopyranosyl-β-D-glucopyranosyl)oxy]-, α-D-glucopyranosyl ester, (3β)-
  • Calenduloside B
  • α-D-Glucopyranosyl (3β)-3-[(4-O-β-D-galactopyranosyl-β-D-glucopyranosyl)oxy]olean-12-en-28-oate

CAS INSIGHTSTM
Abstract Background of Blurry Golden Particles