(3β,11α,12β,14β)-11-(Acetyloxy)-3-[(O-6-deoxy-3-O-methyl-β-D-allopyranosyl-(1→4)-O-2,6-dideoxy-3-O-methyl-β-D-arabino-hexopyranosyl-(1→4)-2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl)oxy]-14-hydroxy-12-[(1-oxo-3-phenyl-2-propen-1-yl)oxy]pregnan-20-one

CAS Registry Number®

11051-90-4

CAS Name

(3β,11α,12β,14β)-11-(Acetyloxy)-3-[(O-6-deoxy-3-O-methyl-β-D-allopyranosyl-(1→4)-O-2,6-dideoxy-3-O-methyl-β-D-arabino-hexopyranosyl-(1→4)-2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl)oxy]-14-hydroxy-12-[(1-oxo-3-phenyl-2-propen-1-yl)oxy]pregnan-20-one

Molecular Formula

C53H78O17

Molecular Mass

987.18

Cite this Page

(3β,11α,12β,14β)-11-(Acetyloxy)-3-[(O-6-deoxy-3-O-methyl-β-D-allopyranosyl-(1→4)-O-2,6-dideoxy-3-O-methyl-β-D-arabino-hexopyranosyl-(1→4)-2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl)oxy]-14-hydroxy-12-[(1-oxo-3-phenyl-2-propen-1-yl)oxy]pregnan-20-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=11051-90-4 (retrieved 2024-11-22) (CAS RN: 11051-90-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C53H78O17/c1-27(54)35-21-23-53(59)36-18-17-33-24-34(20-22-51(33,6)42(36)47(66-31(5)55)49(52(35,53)7)68-39(56)19-16-32-14-12-11-13-15-32)67-40-25-37(60-8)45(29(3)63-40)69-41-26-38(61-9)46(30(4)64-41)70-50-44(58)48(62-10)43(57)28(2)65-50/h11-16,19,28-30,33-38,40-50,57-59H,17-18,20-26H2,1-10H3

InChIKey

InChIKey=ZKWQLHAAXWFVPF-UHFFFAOYSA-N

SMILES

O(C(C)=O)C1C2C(C3(O)C(C)(C1OC(C=CC4=CC=CC=C4)=O)C(C(C)=O)CC3)CCC5C2(C)CCC(OC6CC(OC)C(OC7CC(OC)C(OC8C(O)C(OC)C(O)C(C)O8)C(C)O7)C(C)O6)C5

Canonical SMILES

O=C(OC1C(OC(=O)C)C2C(CCC3CC(OC4OC(C)C(OC5OC(C)C(OC6OC(C)C(O)C(OC)C6O)C(OC)C5)C(OC)C4)CCC32C)C7(O)CCC(C(=O)C)C17C)C=CC=8C=CC=CC8

Other Names for this Substance

  • Pregnan-20-one, 11-(acetyloxy)-3-[(O-6-deoxy-3-O-methyl-β-D-allopyranosyl-(1→4)-O-2,6-dideoxy-3-O-methyl-β-D-arabino-hexopyranosyl-(1→4)-2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl)oxy]-14-hydroxy-12-[(1-oxo-3-phenyl-2-propen-1-yl)oxy]-, (3β,11α,12β,14β)-
  • Condurango glycoside A
  • Pregnan-20-one, 11-(acetyloxy)-3-[(O-6-deoxy-3-O-methyl-β-D-allopyranosyl-(1→4)-O-2,6-dideoxy-3-O-methyl-β-D-arabino-hexopyranosyl-(1→4)-2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl)oxy]-14-hydroxy-12-[(1-oxo-3-phenyl-2-propenyl)oxy]-, (3β,11α,12β,14β)-
  • (3β,11α,12β,14β)-11-(Acetyloxy)-3-[(O-6-deoxy-3-O-methyl-β-D-allopyranosyl-(1→4)-O-2,6-dideoxy-3-O-methyl-β-D-arabino-hexopyranosyl-(1→4)-2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl)oxy]-14-hydroxy-12-[(1-oxo-3-phenyl-2-propen-1-yl)oxy]pregnan-20-one

CAS INSIGHTSTM
Targeted protein degrader structure, illustration