Gossypurpurin

CAS Registry Number®

21891-57-6

CAS Name

Gossypurpurin

Molecular Formula

C60H56N2O13

Molecular Mass

1013.09

Cite this Page

Gossypurpurin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=21891-57-6 (retrieved 2024-11-24) (CAS RN: 21891-57-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C60H56N2O13/c1-19(2)33-27-13-23(9)37(49(66)41(27)31(17-61)47(64)51(33)68)39-25(11)15-29-35(21(5)6)53(70)55(72)45-43(29)57(39)74-59-46-44-30(36(22(7)8)54(71)56(46)73)16-26(12)40(58(44)75-60(45)62-59)38-24(10)14-28-34(20(3)4)52(69)48(65)32(18-63)42(28)50(38)67/h13-22,61-62,64-71H,1-12H3

InChIKey

InChIKey=UGHAANNLJNAXPH-UHFFFAOYSA-N

SMILES

O=C1C=2C=3C(=C(C(C)=CC3C(C(C)C)=C1O)C4=C(O)C5=C(C=C4C)C(C(C)C)=C(O)C(O)=C5C=N)OC=6NC2OC=7C=8C6C(=O)C(O)=C(C(C)C)C8C=C(C)C7C9=C(O)C%10=C(C=C9C)C(C(C)C)=C(O)C(O)=C%10C=O

Canonical SMILES

O=CC1=C(O)C(O)=C(C2=CC(=C(C(O)=C12)C3=C4OC=5NC(OC=6C7=C(C=C(C6C=8C(O)=C9C(C=N)=C(O)C(O)=C(C9=CC8C)C(C)C)C)C(=C(O)C(=O)C57)C(C)C)=C%10C(=O)C(O)=C(C(C=C3C)=C4%10)C(C)C)C)C(C)C

Other Names for this Substance

  • 1-Naphthalenecarboxaldehyde, 7-[2,10-dihydroxy-5,13-dimethyl-3,11-bis(1-methylethyl)-1,9-dioxo-14-[1,6,7-trihydroxy-8-(iminomethyl)-3-methyl-5-(1-methylethyl)-2-naphthalenyl]-1H,9H-dinaphtho[1,8-bc:1′,8′-gh][1,6]dioxecin-8,16-imin-6-yl]-2,3,8-trihydroxy-6-methyl-4-(1-methylethyl)-
  • 1-Naphthaldehyde, 7-[14-(8-formimidoyl-1,6,7-trihydroxy-5-isopropyl-3-methyl-2-naphthyl)-2,10-dihydroxy-3,11-diisopropyl-5,13-dimethyl-1,9-dioxo-1H,9H-dinaphtho[1,8-bc:1′,8′-gh][1,6]dioxecin-8,16-imin-6-yl]-2,3,8-trihydroxy-4-isopropyl-6-methyl-
  • Gossypurpurin
  • 1H,9H-Dinaphtho[1,8-bc:1′,8′-gh][1,6]dioxecin-8,16-imine, 1-naphthalenecarboxaldehyde deriv.
  • 7-[2,10-Dihydroxy-5,13-dimethyl-3,11-bis(1-methylethyl)-1,9-dioxo-14-[1,6,7-trihydroxy-8-(iminomethyl)-3-methyl-5-(1-methylethyl)-2-naphthalenyl]-1H,9H-dinaphtho[1,8-bc:1′,8′-gh][1,6]dioxecin-8,16-imin-6-yl]-2,3,8-trihydroxy-6-methyl-4-(1-methylethyl)-1-naphthalenecarboxaldehyde

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Deleted or Replaced CAS Registry Numbers

11048-89-8

CAS INSIGHTSTM
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