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Substance Name: 31-Noroscillatoxin B
RN: 95098-07-0
InChIKey: YHHCTNRVZNNSHN-QFEZKATASA-N

Molecular Weight

  • 576.679
 
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Names and Synonyms

  • 17-Debromo-2,3-didehydro-3-deoxy-31-nor-4-hydroxyaplysiatoxin
  • 31-Noroscillatoxin B

Registry Numbers

CAS Registry Number

  • 95098-07-0

System Generated Number

  • 0095098070

Structure Descriptors

InChI

1S/C31H44O10/c1-18(10-11-23(37-6)20-8-7-9-21(33)12-20)28-19(2)24-15-31(41-28)29(3,4)17-30(5,36)25(40-31)14-27(35)38-22(16-32)13-26(34)39-24/h7-9,12,14,18-19,22-24,28,32-33,36H,10-11,13,15-17H2,1-6H3/b25-14-

InChIKey

YHHCTNRVZNNSHN-QFEZKATASA-N

Smiles

O1C(C=C2O[C@@]3(O[C@@H]([C@@H](CC[C@@H](c4cccc(c4)O)OC)C)[C@@H](C)[C@@H](C3)OC(C[C@@H]1CO)=O)C(C[C@@]2(O)C)(C)C)=O