Mycinamicin IV

CAS Registry Number®

73684-71-6

CAS Name

Mycinamicin IV

Molecular Formula

C37H61NO11

Molecular Mass

695.88

Cite this Page

Mycinamicin IV.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=73684-71-6 (retrieved 2024-11-22) (CAS RN: 73684-71-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    174-175 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C37H61NO11/c1-11-29-26(20-45-37-35(44-10)34(43-9)31(41)25(6)47-37)14-12-13-15-28(39)22(3)18-23(4)33(21(2)16-17-30(40)48-29)49-36-32(42)27(38(7)8)19-24(5)46-36/h12-17,21-27,29,31-37,41-42H,11,18-20H2,1-10H3/b14-12+,15-13+,17-16+/t21-,22+,23-,24+,25+,26+,27-,29+,31+,32+,33+,34+,35+,36-,37+/m0/s1

InChIKey

InChIKey=DBTIHDIIXPQOFR-JMHKOBKLSA-N

SMILES

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

Canonical SMILES

O=C1OC(CC)C(C=CC=CC(=O)C(C)CC(C)C(OC2OC(C)CC(N(C)C)C2O)C(C=C1)C)COC3OC(C)C(O)C(OC)C3OC

Other Names for this Substance

  • Oxacyclohexadeca-3,11,13-triene-2,10-dione, 15-[[(6-deoxy-2,3-di-O-methyl-β-D-allopyranosyl)oxy]methyl]-16-ethyl-5,7,9-trimethyl-6-[[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]oxy]-, (3E,5S,6S,7S,9R,11E,13E,15R,16R)-
  • Mycinamicin I, 12,13-deepoxy-12,13-didehydro-
  • Oxacyclohexadecane, mycinamicin I deriv.
  • (3E,5S,6S,7S,9R,11E,13E,15R,16R)-15-[[(6-Deoxy-2,3-di-O-methyl-β-D-allopyranosyl)oxy]methyl]-16-ethyl-5,7,9-trimethyl-6-[[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]oxy]oxacyclohexadeca-3,11,13-triene-2,10-dione
  • Mycinamicin IV

View All

Deleted or Replaced CAS Registry Numbers

73905-34-7

CAS INSIGHTSTM
Targeted protein degrader structure, illustration