3β-O-α-L-Arabinopyranosylsiaresinolic acid 28-O-β-D-glucopyranosyl ester

CAS Registry Number®

356785-71-2

CAS Name

3β-O-α-L-Arabinopyranosylsiaresinolic acid 28-O-β-D-glucopyranosyl ester

Molecular Formula

C41H66O13

Molecular Mass

766.95

Cite this Page

3β-O-α-L-Arabinopyranosylsiaresinolic acid 28-O-β-D-glucopyranosyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=356785-71-2 (retrieved 2024-11-22) (CAS RN: 356785-71-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C41H66O13/c1-36(2)14-16-41(35(50)54-34-31(48)29(46)28(45)22(18-42)52-34)17-15-39(6)20(26(41)32(36)49)8-9-24-38(5)12-11-25(37(3,4)23(38)10-13-40(24,39)7)53-33-30(47)27(44)21(43)19-51-33/h8,21-34,42-49H,9-19H2,1-7H3/t21-,22+,23-,24+,25-,26+,27-,28+,29-,30+,31+,32-,33-,34-,38-,39+,40+,41-/m0/s1

InChIKey

InChIKey=SLQHZBXUSQZYTB-VJZGPKJVSA-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](O)CO7)CC6)[H])[H])([C@H](O)C(C)(C)CC3)[H]

Canonical SMILES

O=C(OC1OC(CO)C(O)C(O)C1O)C23CCC(C)(C)C(O)C3C4=CCC5C6(C)CCC(OC7OCC(O)C(O)C7O)C(C)(C)C6CCC5(C)C4(C)CC2

Other Names for this Substance

  • Olean-12-en-28-oic acid, 3-(α-L-arabinopyranosyloxy)-19-hydroxy-, β-D-glucopyranosyl ester, (3β,19α)-
  • 3β-O-α-L-Arabinopyranosylsiaresinolic acid 28-O-β-D-glucopyranosyl ester

Deleted or Replaced CAS Registry Numbers

1426433-17-1

CAS INSIGHTSTM
Targeted protein degrader structure, illustration