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Substance Name: Aponatamycin
RN: 60395-06-4
InChIKey: CPJDGMMIKOGIHH-KQLMTKQRSA-N

Molecular Formula

  • C60-H87-N-O25

Molecular Weight

  • 1222.33
 
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Names and Synonyms

Results Name

  • Aponatamycin

Synonym

  • Aponatamycin

Systematic Name

  • Oxacyclohexacosa-3,16,18,21,23-pentaene-13-carboxylic acid,20-(12-((3-amino-3,6-dideoxy-beta-D-mannopyranosyl)oxy)-15-carboxy-5,14,16,20,22,23-hexahydroxy-2-methyl-18,26-dioxooxacyclohexacosa-6,8,10,24-tetraen-4-yl)-5,6,8,12,14-pentahydroxy-26-methyl-2,10-dioxo-

Registry Numbers

CAS Registry Number

  • 60395-06-4

System Generated Number

  • 0060395064

Structure Descriptors

InChI

1S/C60H87NO25/c1-32-14-8-6-9-15-35(16-10-7-13-19-45(69)53(58(79)80)48(72)29-38(64)25-36(62)27-46(70)43(67)20-22-51(75)83-32)41-24-33(2)84-52(76)23-21-44(68)47(71)28-37(63)26-39(65)30-49(73)54(59(81)82)50(74)31-40(17-11-4-5-12-18-42(41)66)86-60-57(78)55(61)56(77)34(3)85-60/h4-13,15-18,20-23,32-37,40-50,53-57,60,62-63,66-74,77-78H,14,19,24-31,61H2,1-3H3,(H,79,80)(H,81,82)/b5-4-,8-6-,13-7-,15-9-,16-10-,17-11-,18-12-,22-20-,23-21-/t32?,33?,34-,35?,36?,37?,40?,41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,53?,54?,55+,56-,57+,60+/m1/s1

InChIKey

CPJDGMMIKOGIHH-KQLMTKQRSA-N

Smiles

O1C(C=C[C@@H]([C@@H](C[C@@H](CC(C[C@@H]([C@@H]([C@@H](CC=CC=C[C@@H](C=CC=CC[C@@H]1C)[C@@H]1C[C@@H](OC(C=C[C@@H]([C@@H](C[C@@H](CC(C[C@@H]([C@@H]([C@@H](C[C@@H](C=CC=CC=C[C@@H]1O)O[C@H]1[C@@H](O)[C@H]([C@H](O)[C@H](O1)C)N)O)C(=O)O)O)=O)O)O)O)=O)C)O)C(=O)O)O)=O)O)O)O)=O