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Substance Name: Brasilinolide a
RN: 179041-27-1
InChIKey: MVSIZSYJQDRVAV-FSWGJMNFSA-N

Note

  • A macrolide antibiotic produced by Nocardia sp.

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C57-H98-O24

Molecular Weight

  • 1167.38
 
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Names and Synonyms

Name of Substance

  • Brasilinolide A

Synonym

  • Brasilinolide A

Systematic Name

  • Propanedioic acid, mono(14-(6-((2,6-dideoxy-3-O-(1-oxopentyl)-beta-D-lyxo-hexopyranosyl)oxy)-2,4-dihydroxy-1,3,5-trimethylheptyl)-3,9,20,22,24,28,30,31,32-nonahydroxy-13,27-dimethyl-16-oxo-11,15,34-trioxatricyclo(28.3.1.0(sup 10,12))tetratriacont-17-en-5-yl) ester

Registry Numbers

CAS Registry Number

  • 179041-27-1

System Generated Number

  • 0179041271

Structure Descriptors

InChI

InChI=1S/C57H98O24/c1-9-10-16-46(67)78-44-25-49(76-34(8)52(44)72)75-33(7)29(3)50(70)30(4)51(71)31(5)53-32(6)54-55(80-54)41(62)15-12-14-39(77-48(69)26-45(65)66)22-38(61)23-40-24-42(63)56(73)57(74,81-40)27-43(64)28(2)18-19-36(59)21-37(60)20-35(58)13-11-17-47(68)79-53/h11,17,28-44,49-56,58-64,70-74H,9-10,12-16,18-27H2,1-8H3,(H,65,66)/b17-11+/t28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40-,41?,42+,43?,44?,49?,50?,51?,52?,53?,54?,55?,56-,57-/m1/s1

InChIKey

MVSIZSYJQDRVAV-FSWGJMNFSA-N

Smiles

CCCCC(=O)OC1CC(OC(C)C(C)C(O)C(C)C(O)C(C)C2OC(=O)\C=C\CC(O)CC(O)CC(O)CCC(C)C(O)C[C@@]3(O)O[C@H](CC(O)CC(CCCC(O)C4OC4C2C)OC(=O)CC(=O)O)C[C@H](O)[C@H]3O)OC(C)C1O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intravenous > 500mg/kg (500mg/kg)   Journal of Antibiotics. Vol. 50, Pg. 1036, 1997.