Chelocardin

CAS Registry Number®

29144-42-1

CAS Name

Chelocardin

Molecular Formula

C22H21NO7

Molecular Mass

411.40

Cite this Page

Chelocardin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=29144-42-1 (retrieved 2024-11-27) (CAS RN: 29144-42-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H21NO7/c1-7-4-5-10-8(2)11-6-12-16(23)19(27)13(9(3)24)20(28)22(12,30)21(29)15(11)18(26)14(10)17(7)25/h4-5,12,16,25-27,30H,6,23H2,1-3H3/t12-,16+,22+/m0/s1

InChIKey

InChIKey=IRCLZBUBOWPFCH-ONJZCGHCSA-N

SMILES

O[C@@]12[C@@](CC=3C(C1=O)=C(O)C=4C(C3C)=CC=C(C)C4O)([C@@H](N)C(O)=C(C(C)=O)C2=O)[H]

Canonical SMILES

O=C(C=1C(=O)C2(O)C(=O)C3=C(O)C4=C(O)C(=CC=C4C(=C3CC2C(N)C1O)C)C)C

Other Names for this Substance

  • 1,12(4H,5H)-Naphthacenedione, 2-acetyl-4-amino-4a,12a-dihydro-3,10,11,12a-tetrahydroxy-6,9-dimethyl-, (4R,4aS,12aS)-
  • Chelocardin
  • 1,12(4H,5H)-Naphthacenedione, 2-acetyl-4-amino-4a,12a-dihydro-3,10,11,12a-tetrahydroxy-6,9-dimethyl-, [4R-(4α,4aβ,12aβ)]-
  • 1,12(4H,5H)-Naphthacenedione, 2-acetyl-4α-amino-4aβ,12a-dihydro-3,10,11,12aβ-tetrahydroxy-6,9-dimethyl-
  • (4R,4aS,12aS)-2-Acetyl-4-amino-4a,12a-dihydro-3,10,11,12a-tetrahydroxy-6,9-dimethyl-1,12(4H,5H)-naphthacenedione

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