Bufa-4,20,22-trienolide, 3-[(6-deoxy-2-O-β-D-glucopyranosyl-α-L-mannopyranosyl)oxy]-12,14-dihydroxy-, (3β,12β)-

CAS Registry Number®

261158-68-3

CAS Name

Bufa-4,20,22-trienolide, 3-[(6-deoxy-2-O-β-D-glucopyranosyl-α-L-mannopyranosyl)oxy]-12,14-dihydroxy-, (3β,12β)-

Molecular Formula

C36H52O14

Molecular Mass

708.79

Cite this Page

Bufa-4,20,22-trienolide, 3-[(6-deoxy-2-O-β-D-glucopyranosyl-α-L-mannopyranosyl)oxy]-12,14-dihydroxy-, (3β,12β)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=261158-68-3 (retrieved 2024-11-22) (CAS RN: 261158-68-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C36H52O14/c1-16-26(40)29(43)31(50-32-30(44)28(42)27(41)23(14-37)49-32)33(47-16)48-19-8-10-34(2)18(12-19)5-6-21-22(34)13-24(38)35(3)20(9-11-36(21,35)45)17-4-7-25(39)46-15-17/h4,7,12,15-16,19-24,26-33,37-38,40-45H,5-6,8-11,13-14H2,1-3H3/t16-,19-,20+,21+,22-,23+,24+,26-,27+,28-,29+,30+,31+,32-,33-,34-,35-,36-/m0/s1

InChIKey

InChIKey=AZXOOWUNELCFPH-AOBYCLAASA-N

SMILES

O[C@@]12[C@]3([C@@]([C@]4(C)C(CC3)=C[C@@H](O[C@H]5[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@@H](O)[C@H](C)O5)CC4)(C[C@@H](O)[C@]1(C)[C@H](CC2)C=7C=CC(=O)OC7)[H])[H]

Canonical SMILES

O=C1OC=C(C=C1)C2CCC3(O)C4CCC5=CC(OC6OC(C)C(O)C(O)C6OC7OC(CO)C(O)C(O)C7O)CCC5(C)C4CC(O)C23C

Other Names for this Substance

  • Bufa-4,20,22-trienolide, 3-[(6-deoxy-2-O-β-D-glucopyranosyl-α-L-mannopyranosyl)oxy]-12,14-dihydroxy-, (3β,12β)-

CAS INSIGHTSTM
Targeted protein degrader structure, illustration