Az II

CAS Registry Number®

244776-45-2

CAS Name

Az II

Molecular Formula

C54H82O23

Molecular Mass

1099.22

Cite this Page

Az II.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=244776-45-2 (retrieved 2024-11-22) (CAS RN: 244776-45-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C54H82O23/c1-22-32(58)25(57)17-31(70-22)72-30-19-49(2,3)18-24-23-9-10-28-51(5)13-12-29(52(6,21-56)27(51)11-14-54(28,8)53(23,7)16-15-50(24,30)4)73-47-42(37(63)35(61)40(74-47)44(66)67)77-48-43(38(64)36(62)41(75-48)45(68)69)76-46-39(65)34(60)33(59)26(20-55)71-46/h9,24,26-31,33-43,46-48,55-56,58-65H,10-21H2,1-8H3,(H,66,67)(H,68,69)/t24-,26+,27+,28+,29-,30+,31-,33+,34-,35-,36-,37-,38-,39+,40-,41-,42+,43+,46-,47+,48-,50+,51-,52+,53+,54+/m0/s1

InChIKey

InChIKey=XIOUCIKZATWNIJ-IYXKNURLSA-N

SMILES

C[C@]12[C@@]3(C)C([C@]4([C@@](C)(CC3)[C@H](O[C@H]5CC(=O)C(O)=C(C)O5)CC(C)(C)C4)[H])=CC[C@@]1([C@]6(C)[C@@](CC2)([C@](CO)(C)[C@@H](O[C@H]7[C@H](O[C@H]8[C@H](O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O8)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O7)CC6)[H])[H]

Canonical SMILES

O=C(O)C1OC(OC2C(O)C(O)C(OC2OC3CCC4(C)C5CC=C6C7CC(C)(C)CC(OC8OC(=C(O)C(=O)C8)C)C7(C)CCC6(C)C5(C)CCC4C3(C)CO)C(=O)O)C(OC9OC(CO)C(O)C(O)C9O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, (3β,4β,22β)-22-[[(2R)-3,4-dihydro-5-hydroxy-6-methyl-4-oxo-2H-pyran-2-yl]oxy]-23-hydroxyolean-12-en-3-yl O-β-D-glucopyranosyl-(1→2)-O-β-D-glucopyranuronosyl-(1→2)-
  • (3β,4β,22β)-22-[[(2R)-3,4-Dihydro-5-hydroxy-6-methyl-4-oxo-2H-pyran-2-yl]oxy]-23-hydroxyolean-12-en-3-yl O-β-D-glucopyranosyl-(1→2)-O-β-D-glucopyranuronosyl-(1→2)-β-D-glucopyranosiduronic acid
  • Az II

CAS INSIGHTSTM
Targeted protein degrader structure, illustration