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Substance Name: Gambieric acid B
RN: 141363-65-7
InChIKey: PLNXKBYHTXJJIY-ZAXYGDKESA-N

Note

  • A polyether isolated from the marine dinoflagellate Gambierdiscus toxicus.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C60-H94-O16

Molecular Weight

  • 1071.39
 
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Names and Synonyms

Name of Substance

  • Gambieric acid B

Synonyms

  • BRN 5902437
  • Gambieric acid B

Systematic Names

  • 2-Furanpropanoic acid, 5-(3-(2,3,4,4a,5a,6,6a,7a,8,11,11a,12a,13,13a,14a,15,16,17,18,19a,20,20a,21a,22,23,23a,24a,25,25a,26a,27,27a-dotriacontahydro-6,17-dihydroxy-2-(5-hydroxy-2,4-dimethyl-2-pentenyl)-6a,8,12a,13a,17,27a-hexamethyl-3-methyleneoxepino(2''',3'''-5'',6'')pyrano(2' ',3''-5',6')pyrano(2',3'-6,7)oxepino(3,2-b)pyrano(2''',3'''-5'',6'')pyrano(2'',3''-5',6')pyrano(2',3'-5,6)pyrano(2,3-h)oxonin-18-yl)-2-hydroxypropyl)tetrahydro-beta,3-dimethyl-
  • 2-Furanpropanoic acid, 5-(3-(2,3,4,4a,5a,6,6a,7a,8,11,11a,12a,13,13a,14a,15,16,17,18,19a,20,20a,21a,22,23,23a,24a,25,25a,26a,27,27a-dotriacontahydro-6,17-dihydroxy-2-(5-hydroxy-2,4-dimethyl-2-pentenyl)-6a,8,12a,13a,17,27a-hexamethyl-3-methyleneoxepino(2''',3''':5'',6'')pyrano(2'',3'':5',6')pyrano(2',3':6,7)oxepino(3,2-b)pyrano(2''',3''':5'',6'')pyrano(2'',3'':5',6')pyrano(2',3':5,6)pyrano(2,3-h)oxonin-18-yl)-2-hydroxypropyl)tetrahydro-beta,3-dimethyl-
  • 2-Furanpropanoic acid, tetrahydro-beta,3-dimethyl-5-(3-(2,3,4,4a,5a,6,6a,7a,8,11,11a,12a,13,13a,14a,15,16,17,18,19a,20,20a,21a,22,23,23a,24a,25,25a,26a,27,27a-dotriacontahydro-6,17-dihydroxy-2-(5-hydroxy-2,4-dimethyl-2-pentenyl)-6a,8,12a,13a,17,27a-hexamethyl-3-methyleneoxepino(2''',3''':5'',6'')pyrano(2'',3'':5',6')pyrano(2',3':6,7)oxepino(3,2-b)pyrano(2''',3''':5'',6'')pyrano(2'',3'':5',6')pyrano(2',3':5,6)pyrano(2,3-h)oxonin-18-yl)-2-hydroxypropyl)-

Registry Numbers

CAS Registry Number

  • 141363-65-7

System Generated Number

  • 0141363657

Structure Descriptors

InChI

1S/C60H94O16/c1-31(19-32(2)29-61)20-42-34(4)22-48-57(8,75-42)28-45-54(72-48)55(65)60(11)50(70-45)27-44-53(76-60)33(3)13-12-14-40-39(68-44)15-16-46-58(9,73-40)30-59(10)49(71-46)26-43-41(74-59)17-18-56(7,66)47(69-43)25-37(62)24-38-21-35(5)52(67-38)36(6)23-51(63)64/h12-13,19,32-33,35-50,52-55,61-62,65-66H,4,14-18,20-30H2,1-3,5-11H3,(H,63,64)/b13-12-,31-19+/t32-,33+,35+,36+,37-,38-,39+,40-,41+,42-,43-,44-,45-,46-,47+,48-,49+,50+,52-,53+,54-,55+,56+,57+,58+,59-,60+/m1/s1

InChIKey

PLNXKBYHTXJJIY-ZAXYGDKESA-N

Smiles

C1[C@@H]2[C@@H](O[C@H]3[C@H]([C@H](C=C1)C)O[C@@]1([C@H](C3)O[C@H]3[C@H]([C@@H]1O)O[C@H]1[C@@](C3)(O[C@@H](C(C1)=C)C\C(=C\[C@H](CO)C)C)C)C)CC[C@@H]1[C@](C)(O2)C[C@@]2(C)O[C@@H]3[C@@H](C[C@H]2O1)O[C@H]([C@](C)(CC3)O)C[C@@H](C[C@H]1C[C@@H]([C@@H](O1)[C@H](CC(O)=O)C)C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 1mg/kg (1mg/kg)   Journal of Antibiotics. Vol. 46, Pg. 520, 1993.