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Substance Name: Aplysiatoxin, 17-debromo-2,3-didehydro-3-deoxy-
RN: 96563-05-2
InChIKey: REEPWUZDKMZVOB-QFEZKATASA-N

Molecular Formula

  • C32-H46-O9

Molecular Weight

  • 574.706
 
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Names and Synonyms

  • Aplysiatoxin, 17-debromo-2,3-didehydro-3-deoxy-

Registry Numbers

CAS Registry Number

  • 96563-05-2

System Generated Number

  • 0096563052

Structure Descriptors

InChI

1S/C32H46O9/c1-18(11-12-24(37-7)22-9-8-10-23(34)13-22)30-20(3)27-17-32(41-30)31(5,6)16-19(2)25(40-32)14-28(35)38-26(21(4)33)15-29(36)39-27/h8-10,13-14,18-21,24,26-27,30,33-34H,11-12,15-17H2,1-7H3/b25-14-

InChIKey

REEPWUZDKMZVOB-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]1[C@@H](O)C)=O)C(C[C@@H]2C)(C)C)=O