Pradimicin B

CAS Registry Number®

117704-66-2

CAS Name

Pradimicin B

Molecular Formula

C35H36N2O14

Molecular Mass

708.67

Cite this Page

Pradimicin B.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=117704-66-2 (retrieved 2024-11-26) (CAS RN: 117704-66-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C35H36N2O14/c1-10-6-17-22(28(42)19(10)33(46)37-11(2)34(47)48)21-15(27(41)32(17)51-35-31(45)30(44)24(36-4)12(3)50-35)9-16-23(29(21)43)26(40)14-7-13(49-5)8-18(38)20(14)25(16)39/h6-9,11-12,24,27,30-32,35-36,38,41-45H,1-5H3,(H,37,46)(H,47,48)

InChIKey

InChIKey=DHQWPIXFALDZDJ-UHFFFAOYSA-N

SMILES

OC1=C2C=3C(=CC4=C(C3O)C(=O)C=5C(C4=O)=C(O)C=C(OC)C5)C(O)C(OC6C(O)C(O)C(NC)C(C)O6)C2=CC(C)=C1C(NC(C(O)=O)C)=O

Canonical SMILES

O=C(O)C(NC(=O)C1=C(O)C=2C3=C(O)C=4C(=O)C5=CC(OC)=CC(O)=C5C(=O)C4C=C3C(O)C(OC6OC(C)C(NC)C(O)C6O)C2C=C1C)C

Other Names for this Substance

  • D-Alanine, N-[[(5S,6S)-5-[[4,6-dideoxy-4-(methylamino)-β-D-galactopyranosyl]oxy]-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxobenzo[a]naphthacen-2-yl]carbonyl]-
  • D-Alanine, N-[[5-[[4,6-dideoxy-4-(methylamino)-β-D-galactopyranosyl]oxy]-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxobenzo[a]naphthacen-2-yl]carbonyl]-, (5S-trans)-
  • Benzo[a]naphthacene, D-alanine deriv.
  • N-[[(5S,6S)-5-[[4,6-Dideoxy-4-(methylamino)-β-D-galactopyranosyl]oxy]-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxobenzo[a]naphthacen-2-yl]carbonyl]-D-alanine
  • BU 3608B

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Deleted or Replaced CAS Registry Numbers

120500-20-1

CAS INSIGHTSTM
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