Elsamitrucin

CAS Registry Number®

97068-30-9

CAS Name

Elsamitrucin

Molecular Formula

C33H35NO13

Molecular Mass

653.63

Cite this Page

Elsamitrucin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=97068-30-9 (retrieved 2024-11-22) (CAS RN: 97068-30-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C33H35NO13/c1-11-9-10-16-19-17(11)29(38)46-25-18-14(24(36)21(20(19)25)30(39)44-16)7-6-8-15(18)45-32-28(33(4,40)27(37)13(3)43-32)47-31-22(34)26(41-5)23(35)12(2)42-31/h6-10,12-13,22-23,26-28,31-32,35-37,40H,34H2,1-5H3/t12-,13-,22-,23+,26-,27+,28+,31-,32+,33+/m1/s1

InChIKey

InChIKey=MGQRRMONVLMKJL-KWJIQSIXSA-N

SMILES

OC=1C2=C3C=4C(C(=O)OC3=C5C1C=CC=C5O[C@H]6[C@H](O[C@@H]7[C@H](N)[C@@H](OC)[C@@H](O)[C@@H](C)O7)[C@@](C)(O)[C@@H](O)[C@@H](C)O6)=C(C)C=CC4OC2=O

Canonical SMILES

O=C1OC2=CC=C(C=3C(=O)OC=4C=5C(OC6OC(C)C(O)C(O)(C)C6OC7OC(C)C(O)C(OC)C7N)=CC=CC5C(O)=C1C4C23)C

Other Names for this Substance

  • Benzo[h][1]benzopyrano[5,4,3-cde][1]benzopyran-5,12-dione, 10-[[2-O-(2-amino-2,6-dideoxy-3-O-methyl-α-D-galactopyranosyl)-6-deoxy-3-C-methyl-β-D-galactopyranosyl]oxy]-6-hydroxy-1-methyl-
  • 10-[[2-O-(2-Amino-2,6-dideoxy-3-O-methyl-α-D-galactopyranosyl)-6-deoxy-3-C-methyl-β-D-galactopyranosyl]oxy]-6-hydroxy-1-methylbenzo[h][1]benzopyrano[5,4,3-cde][1]benzopyran-5,12-dione
  • Antibiotic BBM 2478A
  • Elsamicin A
  • Elsamitrucin

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration