(S)-(3β)-28-(β-D-Glucopyranosyloxy)-28-oxoolean-12-en-3-yl 3-O-[carboxy(carboxymethoxy)methyl]-β-D-glucopyranosiduronic acid

CAS Registry Number®

182322-57-2

CAS Name

(S)-(3β)-28-(β-D-Glucopyranosyloxy)-28-oxoolean-12-en-3-yl 3-O-[carboxy(carboxymethoxy)methyl]-β-D-glucopyranosiduronic acid

Molecular Formula

C46H70O19

Molecular Mass

927.04

Cite this Page

(S)-(3β)-28-(β-D-Glucopyranosyloxy)-28-oxoolean-12-en-3-yl 3-O-[carboxy(carboxymethoxy)methyl]-β-D-glucopyranosiduronic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=182322-57-2 (retrieved 2024-11-22) (CAS RN: 182322-57-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C46H70O19/c1-41(2)14-16-46(40(59)65-37-30(52)29(51)28(50)23(19-47)61-37)17-15-44(6)21(22(46)18-41)8-9-25-43(5)12-11-26(42(3,4)24(43)10-13-45(25,44)7)62-38-32(54)33(31(53)34(64-38)35(55)56)63-39(36(57)58)60-20-27(48)49/h8,22-26,28-34,37-39,47,50-54H,9-20H2,1-7H3,(H,48,49)(H,55,56)(H,57,58)/t22-,23+,24-,25+,26-,28+,29-,30+,31-,32+,33-,34-,37-,38+,39-,43-,44+,45+,46-/m0/s1

InChIKey

InChIKey=DVEJWYUSLPQXTD-NCEDLQITSA-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]7[C@H](O)[C@@H](O[C@H](OCC(O)=O)C(O)=O)[C@H](O)[C@@H](C(O)=O)O7)CC6)[H])[H])(CC(C)(C)CC3)[H]

Canonical SMILES

O=C(O)COC(OC1C(O)C(OC(C(=O)O)C1O)OC2CCC3(C)C4CC=C5C6CC(C)(C)CCC6(C(=O)OC7OC(CO)C(O)C(O)C7O)CCC5(C)C4(C)CCC3C2(C)C)C(=O)O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, (3β)-28-(β-D-glucopyranosyloxy)-28-oxoolean-12-en-3-yl 3-O-[carboxy(carboxymethoxy)methyl]-, (S)-
  • (S)-(3β)-28-(β-D-Glucopyranosyloxy)-28-oxoolean-12-en-3-yl 3-O-[carboxy(carboxymethoxy)methyl]-β-D-glucopyranosiduronic acid
  • Spinacoside C
  • Achyranthoside E

Deleted or Replaced CAS Registry Numbers

216018-00-7

CAS INSIGHTSTM
Targeted protein degrader structure, illustration