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Substance Name: Bastadin 20
RN: 184679-29-6
InChIKey: GBHLAOKSDGGNNZ-LTEVTRLRSA-N

Notes

  • Isolated from Ianthella basta collected in Exmouth Gulf, Western Australia
  • Modulates Ry(1)R FKBP12 receptor complex; isolated from Ianthella basta.

Molecular Formula

  • C34-H28-Br4-N4-O8

Molecular Weight

  • 940.2312
 
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Names and Synonyms

Results Name

  • Bastadin 20

Synonym

  • Bastadin 20

Systematic Name

  • 2,19-Dioxa-10,27-diazapentacyclo(28.2.2.220,23.13,7.114,18)octatriaconta-3,5,7(38),14,16,18(37),20,22,30,32,33,35-dodecaene-11,12,25,26-tetrone, 5,16,21,32-tetrabromo-4,17-dihydroxy-, 12,25-dioxime

Registry Numbers

CAS Registry Number

  • 184679-29-6

System Generated Number

  • 0184679296

Structure Descriptors

InChI

1S/C34H28Br4N4O8/c35-21-9-17-1-3-27(21)49-29-15-19(11-23(37)31(29)43)6-8-40-34(46)26(42-48)14-20-12-24(38)32(44)30(16-20)50-28-4-2-18(10-22(28)36)13-25(41-47)33(45)39-7-5-17/h1-4,9-12,15-16,43-44,47-48H,5-8,13-14H2,(H,39,45)(H,40,46)/b41-25-,42-26+

InChIKey

GBHLAOKSDGGNNZ-LTEVTRLRSA-N

Smiles

c1cc2c(cc1CCNC(=O)/C(=N\O)/Cc3ccc(c(c3)Br)Oc4cc(cc(c4O)Br)C/C(=N\O)/C(=O)NCCc5cc(c(c(c5)Br)O)O2)Br