Isobutrin

CAS Registry Number®

536-01-6

CAS Name

Isobutrin

Molecular Formula

C27H32O15

Molecular Mass

596.53

Cite this Page

Isobutrin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=536-01-6 (retrieved 2024-11-22) (CAS RN: 536-01-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    190-191 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C27H32O15/c28-9-18-20(33)22(35)24(37)26(41-18)39-12-3-4-13(16(32)8-12)14(30)5-1-11-2-6-15(31)17(7-11)40-27-25(38)23(36)21(34)19(10-29)42-27/h1-8,18-29,31-38H,9-10H2/b5-1+/t18-,19-,20-,21-,22+,23+,24-,25-,26-,27-/m1/s1

InChIKey

InChIKey=XOTWNDIAAITUKR-KUUXHJTOSA-N

SMILES

O([C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C2=CC(/C=C/C(=O)C3=C(O)C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C3)=CC=C2O

Canonical SMILES

O=C(C=CC1=CC=C(O)C(OC2OC(CO)C(O)C(O)C2O)=C1)C3=CC=C(OC4OC(CO)C(O)C(O)C4O)C=C3O

Other Names for this Substance

  • 2-Propen-1-one, 1-[4-(β-D-glucopyranosyloxy)-2-hydroxyphenyl]-3-[3-(β-D-glucopyranosyloxy)-4-hydroxyphenyl]-, (2E)-
  • Isobutrin
  • 2-Propen-1-one, 1-[4-(β-D-glucopyranosyloxy)-2-hydroxyphenyl]-3-[3-(β-D-glucopyranosyloxy)-4-hydroxyphenyl]-, (E)-
  • (2E)-1-[4-(β-D-Glucopyranosyloxy)-2-hydroxyphenyl]-3-[3-(β-D-glucopyranosyloxy)-4-hydroxyphenyl]-2-propen-1-one

CAS INSIGHTSTM
Targeted protein degrader structure, illustration