Chemical Compound

Ecubectedin

CAS Registry Number 2248127-53-7
Ecubectedin chemical structure
Primary Record

Ecubectedin

In stock
7,406 g
Purity
98.8 %
CAS
2248127-53-7

Compound Identifiers & Properties

CAS
2248127-53-7
PubChem CID
171666233
SMILES
CC1=CC2=C([C@H]3[C@@H]4[C@H]5C6=C(C(=C7C(=C6[C@@H](N4[C@H]([C@H](C2)N3C)O)COC(=O)[C@@]8(CS5)C9=C(C[C@H](N8)CO)C2=CC=CC=C2N9)OCO7)C)OC(=O)C)C(=C1OC)O
Canonical SMILES
COc1c(C)cc2c(c1O)[C@H]1[C@@H]3[C@@H]4SC[C@]5(N[C@H](CO)Cc6c5[nH]c5ccccc65)C(=O)OC[C@@H](c5c6c(c(C)c(OC(C)=O)c54)OCO6)N3[C@@H](O)[C@H](C2)N1C

Names & Synonyms

  • Ecubectedin
  • SCHEMBL21466845
  • DA-52806
  • 2248127-53-7