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Substance Name: Phorboxazole A
RN: 165883-76-1
InChIKey: RIMCCZQKPGAGSV-ORDOQVNCSA-N

Molecular Weight

  • 1024.05
 
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Names and Synonyms

  • Phorboxazole A

Registry Numbers

CAS Registry Number

  • 165883-76-1

System Generated Number

  • 0165883761

Structure Descriptors

InChI

1S/C53H71BrN2O13/c1-31(16-17-38(61-6)12-10-18-54)21-44(58)47-26-42(62-7)27-53(60,69-47)28-49-55-36(29-63-49)22-33(3)51-35(5)52-34(4)45(67-51)13-9-14-48-56-43(30-64-48)46-24-37(57)23-41(66-46)25-40-20-32(2)19-39(65-40)11-8-15-50(59)68-52/h8-10,14-18,21-22,29-30,34-35,37-42,44-47,51-52,57-58,60H,2,11-13,19-20,23-28H2,1,3-7H3/b14-9-,15-8+,17-16+,18-10+,31-21+,33-22+/t34-,35+,37-,38-,39+,40-,41+,42-,44-,45?,46-,47-,51+,52?,53+/m1/s1

InChIKey

RIMCCZQKPGAGSV-ORDOQVNCSA-N

Smiles

c1(coc(C[C@@]2(C[C@@H](C[C@@H](O2)[C@H](O)\C=C(\C=C\[C@H](OC)C\C=C\Br)C)OC)O)n1)\C=C(/C)[C@@H]1O[C@@H]2[C@@H](C)[C@@H](OC(=O)C=CC[C@@H]3O[C@H](CC(C3)=C)C[C@H]3O[C@H](C[C@@H](O)C3)c3nc(C=CC2)oc3)[C@H]1C