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Substance Name: Pectenotoxin 6
RN: 124843-18-1
InChIKey: IJSPTHZVVHPQQN-WACQSWMTSA-N

Note

  • Isolated from scallops (Patinopecten yessoensis).

Molecular Formula

  • C47-H68-O16

Molecular Weight

  • 889.038
 
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Names and Synonyms

Results Name

  • Pectenotoxin 6

Synonym

  • Pectenotoxin 6

Systematic Name

  • Pectenotoxin 1, 18-carboxy-18-de(hydroxymethyl)-

Registry Numbers

CAS Registry Number

  • 124843-18-1

System Generated Number

  • 0124843181

Structure Descriptors

InChI

1S/C47H68O16/c1-25-9-10-31-33(21-36(56-31)47(54)38(49)27(3)13-19-55-47)57-40(51)28(4)30-8-7-14-45(58-30)16-11-32(59-45)39(50)43(6)23-29(48)37(62-43)34-24-44(41(52)53)17-18-46(60-34,63-44)35-12-15-42(5,61-35)22-26(2)20-25/h9-10,20,26-28,30-39,49-50,54H,7-8,11-19,21-24H2,1-6H3,(H,52,53)/b10-9+,25-20+/t26-,27+,28+,30-,31+,32-,33+,34+,35+,36-,37-,38+,39-,42+,43+,44+,45?,46?,47+/m0/s1

InChIKey

IJSPTHZVVHPQQN-WACQSWMTSA-N

Smiles

C1C[C@@H]2[C@@]34O[C@H](C[C@@](C(O)=O)(CC3)O4)[C@H]3O[C@@](CC3=O)([C@H]([C@@H]3CC[C@@]4(O3)O[C@@H](CCC4)[C@H](C(O[C@H]3[C@H](O[C@@H](C3)[C@@]3([C@@H]([C@@H](CCO3)C)O)O)C=CC(=C[C@H](C)C[C@@]1(C)O2)C)=O)C)O)C