(3β,5β)-3-[(O-β-D-Glucopyranosyl-(1→6)-O-β-D-glucopyranosyl-(1→4)-2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide

CAS Registry Number®

220710-06-5

CAS Name

(3β,5β)-3-[(O-β-D-Glucopyranosyl-(1→6)-O-β-D-glucopyranosyl-(1→4)-2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide

Molecular Formula

C41H64O17

Molecular Mass

828.94

Cite this Page

(3β,5β)-3-[(O-β-D-Glucopyranosyl-(1→6)-O-β-D-glucopyranosyl-(1→4)-2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=220710-06-5 (retrieved 2024-11-22) (CAS RN: 220710-06-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C41H64O17/c1-18-36(58-38-35(50)33(48)31(46)27(57-38)17-53-37-34(49)32(47)30(45)26(15-42)56-37)25(43)14-29(54-18)55-21-6-9-39(2)20(13-21)4-5-24-23(39)7-10-40(3)22(8-11-41(24,40)51)19-12-28(44)52-16-19/h12,18,20-27,29-38,42-43,45-51H,4-11,13-17H2,1-3H3/t18-,20-,21+,22-,23+,24-,25+,26-,27-,29+,30-,31-,32+,33+,34-,35-,36-,37-,38+,39+,40-,41+/m1/s1

InChIKey

InChIKey=NQKAYUABNWNCPK-SQDVSHMJSA-N

SMILES

O[C@@]12[C@]3([C@@]([C@]4(C)[C@](CC3)(C[C@@H](O[C@H]5C[C@H](O)[C@H](O[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O)[C@@H](C)O5)CC4)[H])(CC[C@]1(C)[C@H](CC2)C=8COC(=O)C8)[H])[H]

Canonical SMILES

O=C1OCC(=C1)C2CCC3(O)C4CCC5CC(OC6OC(C)C(OC7OC(COC8OC(CO)C(O)C(O)C8O)C(O)C(O)C7O)C(O)C6)CCC5(C)C4CCC23C

Other Names for this Substance

  • Card-20(22)-enolide, 3-[(O-β-D-glucopyranosyl-(1→6)-O-β-D-glucopyranosyl-(1→4)-2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-14-hydroxy-, (3β,5β)-
  • (3β,5β)-3-[(O-β-D-Glucopyranosyl-(1→6)-O-β-D-glucopyranosyl-(1→4)-2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide

CAS INSIGHTSTM
Targeted protein degrader structure, illustration