Achyranthoside D

CAS Registry Number®

168009-91-4
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CAS Name

Achyranthoside D

Molecular Formula

C53H82O25

Molecular Mass

1119.20

Cite this Page

Achyranthoside D.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=168009-91-4 (retrieved 2024-08-24) (CAS RN: 168009-91-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C53H82O25/c1-48(2)14-16-53(47(70)78-45-35(63)33(61)31(59)25(20-55)73-45)17-15-51(6)22(23(53)18-48)8-9-27-50(5)12-11-28(49(3,4)26(50)10-13-52(27,51)7)74-46-40(77-44-34(62)32(60)30(58)24(19-54)72-44)38(36(64)39(76-46)42(68)69)75-43(37(65)41(66)67)71-21-29(56)57/h8,23-28,30-40,43-46,54-55,58-65H,9-21H2,1-7H3,(H,56,57)(H,66,67)(H,68,69)

InChIKey

InChIKey=VYVPIFXAYNIMKK-UHFFFAOYSA-N

SMILES

C(OC1OC(CO)C(O)C(O)C1O)(=O)C23C(C=4C(C)(CC2)C5(C)C(CC4)C6(C)C(CC5)C(C)(C)C(OC7C(OC8OC(CO)C(O)C(O)C8O)C(OC(OCC(O)=O)C(C(O)=O)O)C(O)C(C(O)=O)O7)CC6)CC(C)(C)CC3

Canonical SMILES

O=C(O)COC(OC1C(O)C(OC(OC2CCC3(C)C(CCC4(C)C3CC=C5C6CC(C)(C)CCC6(C(=O)OC7OC(CO)C(O)C(O)C7O)CCC54C)C2(C)C)C1OC8OC(CO)C(O)C(O)C8O)C(=O)O)C(O)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-[2-carboxy-1-(carboxymethoxy)-2-hydroxyethyl]-2-O-β-D-glucopyranosyl-
  • (3β)-28-(β-D-Glucopyranosyloxy)-28-oxoolean-12-en-3-yl 3-O-[2-carboxy-1-(carboxymethoxy)-2-hydroxyethyl]-2-O-β-D-glucopyranosyl-β-D-glucopyranosiduronic acid
  • Achyranthoside D