ABT 229

CAS Registry Number®

150785-53-8

CAS Name

ABT 229

Molecular Formula

C38H67NO10

Molecular Mass

697.94

Cite this Page

ABT 229.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=150785-53-8 (retrieved 2024-11-25) (CAS RN: 150785-53-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C38H67NO10/c1-14-28-23(6)30(40)24(7)32-20(3)17-38(11,49-32)34(48-36-31(41)27(39(12)15-2)16-21(4)45-36)25(8)33(26(9)35(42)46-28)47-29-19-37(10,43-13)18-22(5)44-29/h21-31,33-34,36,40-41H,14-19H2,1-13H3/t21-,22+,23+,24-,25+,26-,27+,28-,29+,30+,31-,33+,34-,36+,37+,38-/m1/s1

InChIKey

InChIKey=IWTSXJNGTTXMFK-KTQUSEMZSA-N

SMILES

O([C@H]1[C@]2(C)OC(=C(C)C2)[C@H](C)[C@@H](O)[C@@H](C)[C@@H](CC)OC(=O)[C@H](C)[C@@H](O[C@H]3C[C@](OC)(C)C[C@H](C)O3)[C@@H]1C)[C@H]4[C@H](O)[C@@H](N(CC)C)C[C@@H](C)O4

Canonical SMILES

O=C1OC(CC)C(C)C(O)C(C=2OC(C)(CC2C)C(OC3OC(C)CC(N(C)CC)C3O)C(C)C(OC4OC(C)CC(OC)(C)C4)C1C)C

Other Names for this Substance

  • Erythromycin, 8,9-didehydro-N-demethyl-9-deoxo-4′′,6,12-trideoxy-6,9-epoxy-N-ethyl-
  • 6,15-Dioxabicyclo[10.2.1]pentadecane, erythromycin deriv.
  • 8,9-Didehydro-N-demethyl-9-deoxo-4′′,6,12-trideoxy-6,9-epoxy-N-ethylerythromycin
  • ABT 229
  • Alemcinal

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