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Substance Name: Oscillatoxin A
RN: 66671-95-2
InChIKey: GKTXURNRIDXUNG-UHFFFAOYSA-N

Molecular Formula

  • C31-H46-O10

Molecular Weight

  • 578.694
 
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Names and Synonyms

Results Name

  • Oscillatoxin A

Synonym

  • Aplysiatoxin, 17-debromo-29-de(1-hydroxyethyl)-29-(hydroxymethyl)-

Systematic Names

  • 2,6,10,17-Tetraoxatricyclo(11.3.1.11,5)octadecane-7,11-dione,13-hydroxy-9-(hydroxymethyl)-3-((1S,4S)-4-(3-hydroxyphenyl)-4-methoxy-1-methylbutyl)-4,14,16,16-tetramethyl-, (1S,3R,4S,5S,9R,13S,14R)-
  • 2,6,10,17-Tetraoxatricyclo(11.3.1.11,5)octadecane-7,11-dione,13-hydroxy-9-(hydroxymethyl)-3-(4-(3-hydroxyphenyl)-4-methoxy-1-methylbutyl)-4,14,16,16-tetramethyl-, (1S-(1R*,3S*(1R*,4R*),4R*,5R*,9S*,13R*,14S*))-

Registry Numbers

CAS Registry Number

  • 66671-95-2

System Generated Number

  • 0066671952

Structure Descriptors

InChI

1S/C31H46O10/c1-18(10-11-24(37-6)21-8-7-9-22(33)12-21)28-20(3)25-15-31(40-28)29(4,5)14-19(2)30(36,41-31)16-27(35)38-23(17-32)13-26(34)39-25/h7-9,12,18-20,23-25,28,32-33,36H,10-11,13-17H2,1-6H3

InChIKey

GKTXURNRIDXUNG-UHFFFAOYSA-N

Smiles

C1(C)(C)[C@@]23O[C@@H]([C@@H](CC[C@@H](c4cc(ccc4)O)OC)C)[C@@H]([C@@H](OC(C[C@@H](CO)OC(C[C@@]([C@@H](C)C1)(O3)O)=O)=O)C2)C