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Substance Name: 7-O-Palmitoyldinophysistoxin 1
RN: 97564-96-0
InChIKey: KZFKUHIFDVFMKF-OCEACIFDSA-N

Molecular Formula

  • C61-H100-O14

Molecular Weight

  • 1057.45
 
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Names and Synonyms

  • 7-O-Palmitoyldinophysistoxin 1

Registry Numbers

CAS Registry Number

  • 97564-96-0

System Generated Number

  • 0097564960

Structure Descriptors

InChI

1S/C61H100O14/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-24-52(63)70-51-28-27-47(39-58(8,67)57(65)66)72-61(51)38-40(2)36-50(73-61)41(3)25-26-46-30-32-59(71-46)33-31-49-56(74-59)53(64)45(7)55(69-49)48(62)37-43(5)54-42(4)29-34-60(75-54)44(6)23-22-35-68-60/h25-26,38,41-44,46-51,53-56,62,64,67H,7,9-24,27-37,39H2,1-6,8H3,(H,65,66)/b26-25+

InChIKey

KZFKUHIFDVFMKF-OCEACIFDSA-N

Smiles

O1[C@@H](CC[C@@H](OC(=O)CCCCCCCCCCCCCCC)[C@@]21O[C@@H]([C@@H](\C=C\[C@@H]1O[C@@]3(CC[C@@H]4O[C@@H]([C@@H](C[C@@H]([C@@H]5[C@@H](C)CC[C@@]6([C@@H](CCCO6)C)O5)C)O)C([C@@H]([C@@H]4O3)O)=C)CC1)C)CC(=C2)C)C[C@@](C)(C(O)=O)O