Chikusetsusaponin III

CAS Registry Number®

29845-71-4

CAS Name

Chikusetsusaponin III

Molecular Formula

C47H80O17

Molecular Mass

917.13

Cite this Page

Chikusetsusaponin III.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=29845-71-4 (retrieved 2024-11-22) (CAS RN: 29845-71-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C47H80O17/c1-22(2)10-9-14-47(8,58)23-11-16-46(7)31(23)24(49)18-29-44(5)15-13-30(43(3,4)28(44)12-17-45(29,46)6)63-42-39(64-41-38(57)35(54)33(52)26(19-48)61-41)36(55)34(53)27(62-42)21-60-40-37(56)32(51)25(50)20-59-40/h10,23-42,48-58H,9,11-21H2,1-8H3/t23-,24+,25+,26+,27+,28-,29+,30-,31-,32-,33+,34+,35-,36-,37+,38+,39+,40-,41-,42-,44-,45+,46+,47-/m0/s1

InChIKey

InChIKey=ZICDJKZDHVLVOD-HUGMCNGHSA-N

SMILES

C[C@]12[C@@]([C@]3(C)[C@@](CC1)(C(C)(C)[C@@H](O[C@H]4[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]6[C@H](O)[C@@H](O)[C@H](O)CO6)O4)CC3)[H])(C[C@@H](O)[C@]7([C@@]2(C)CC[C@@]7([C@@](CCC=C(C)C)(C)O)[H])[H])[H]

Canonical SMILES

OCC1OC(OC2C(O)C(O)C(OC2OC3CCC4(C)C(CCC5(C)C4CC(O)C6C(CCC65C)C(O)(C)CCC=C(C)C)C3(C)C)COC7OCC(O)C(O)C7O)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranoside, (3β,12β)-12,20-dihydroxydammar-24-en-3-yl O-β-D-glucopyranosyl-(1→2)-O-[β-D-xylopyranosyl-(1→6)]-
  • Chikusetsusaponin III
  • Dammarane, β-D-glucopyranoside deriv.
  • (3β,12β)-12,20-Dihydroxydammar-24-en-3-yl O-β-D-glucopyranosyl-(1→2)-O-[β-D-xylopyranosyl-(1→6)]-β-D-glucopyranoside

CAS INSIGHTSTM
Targeted protein degrader structure, illustration