Chikusetsusaponin IV

CAS Registry Number®

7518-22-1
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CAS Name

Chikusetsusaponin IV

Molecular Formula

C47H74O18

Molecular Mass

927.08

Cite this Page

Chikusetsusaponin IV.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=7518-22-1 (retrieved 2024-04-28) (CAS RN: 7518-22-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    196-200 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C47H74O18/c1-42(2)14-16-47(41(59)65-39-33(55)30(52)28(50)23(19-48)61-39)17-15-45(6)21(22(47)18-42)8-9-26-44(5)12-11-27(43(3,4)25(44)10-13-46(26,45)7)62-40-34(56)31(53)35(36(64-40)37(57)58)63-38-32(54)29(51)24(20-49)60-38/h8,22-36,38-40,48-56H,9-20H2,1-7H3,(H,57,58)/t22-,23+,24-,25-,26+,27-,28+,29-,30-,31+,32+,33+,34+,35-,36-,38-,39-,40+,44-,45+,46+,47-/m0/s1

InChIKey

InChIKey=KQSFNXMDCOFFGW-GNDIVNLPSA-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](C(O)=O)[C@@H](O[C@@H]8O[C@@H](CO)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)CC6)[H])[H])(CC(C)(C)CC3)[H]

Canonical SMILES

O=C(O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C5C6CC(C)(C)CCC6(C(=O)OC7OC(CO)C(O)C(O)C7O)CCC54C)C2(C)C)C(O)C(O)C1OC8OC(CO)C(O)C8O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, (3β)-28-(β-D-glucopyranosyloxy)-28-oxoolean-12-en-3-yl 4-O-α-L-arabinofuranosyl-
  • Araloside A
  • Chikusetsusaponin IV
  • Oleanane, β-D-glucopyranosiduronic acid deriv.
  • (3β)-28-(β-D-Glucopyranosyloxy)-28-oxoolean-12-en-3-yl 4-O-α-L-arabinofuranosyl-β-D-glucopyranosiduronic acid

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Deleted or Replaced CAS Registry Numbers

51268-81-6, 65722-08-9, 2688851-99-0

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