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Substance Name: Bipinnatin A
RN: 99552-28-0
InChIKey: SETTUTVEWZFWRZ-RTNZLAPYSA-N

Note

  • Nicotinic receptor antagonist which belongs to a family of naturally occurring marine neurotoxins called lophotoxins.

Molecular Formula

  • C25-H28-O11

Molecular Weight

  • 504.485
 
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Names and Synonyms

Name of Substance

  • Bipinnatin A

Synonym

  • Bipinnatin-A

Systematic Name

  • 11,16,18,19-Tetraoxapentacyclo(12.2.2.16,9.01,15.010,12)nonadeca-6,8-diene-4-acetic acid, 2,5-bis(acetyloxy)-7,12-dimethyl-alpha-methylene-17-oxo-, methyl ester, (1S-(1R*,2R*,4S*,5S*,10R*,12R*,14S*,15S*))-

Registry Numbers

CAS Registry Number

  • 99552-28-0

System Generated Number

  • 0099552280

Structure Descriptors

InChI

1S/C25H28O11/c1-10-7-15-20-24(5,35-20)9-16-21-25(36-21,23(29)34-16)17(31-12(3)26)8-14(11(2)22(28)30-6)19(18(10)33-15)32-13(4)27/h7,14,16-17,19-21H,2,8-9H2,1,3-6H3/t14-,16-,17+,19-,20?,21?,24?,25?/m1/s1

InChIKey

SETTUTVEWZFWRZ-RTNZLAPYSA-N

Smiles

O(C(C)=O)[C@@H]1[C@@]23C(O[C@@H]([C@@H]2O3)C[C@@]2([C@@H](O2)c2cc(c(o2)[C@H](OC(C)=O)[C@H](C1)C(=C)C(OC)=O)C)C)=O