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Substance Name: Squamocin
RN: 120298-30-8
InChIKey: DAEFUOXKPZLQMM-AUDZWCKFSA-N

Note

  • From seeds of Annona squamosa; a trihydroxy-bis-tetrahydrofuran fatty acid lactone; inhibits E. coli NADH:quinone oxidoreductase (NDH-1).

Molecular Formula

  • C37-H66-O7

Molecular Weight

  • 622.9214
 
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Names and Synonyms

Name of Substance

  • Squamocin

Synonyms

  • Annonin I
  • Squamocin
  • Squamocin A

Systematic Name

  • 2(5H)-Furanone, 3-(13-(5'-(1,5-dimethylundecyl)octahydro(2,2'-bifuran)-5-yl)-13-hydroxytridecyl)-5-methyl-

Registry Numbers

CAS Registry Number

  • 120298-30-8

Other Registry Number

  • 129214-51-3

System Generated Number

  • 0120298308

Structure Descriptors

InChI

1S/C37H66O7/c1-3-4-5-15-19-30(38)20-17-22-32(40)34-24-26-36(44-34)35-25-23-33(43-35)31(39)21-16-13-11-9-7-6-8-10-12-14-18-29-27-28(2)42-37(29)41/h27-28,30-36,38-40H,3-26H2,1-2H3/t28-,30-,31+,32-,33+,34+,35+,36+/m0/s1

InChIKey

DAEFUOXKPZLQMM-AUDZWCKFSA-N

Smiles

O1C(=O)C(=C[C@@H]1C)CCCCCCCCCCCC[C@@H](O)[C@@H]1O[C@H](CC1)[C@@H]1O[C@H](CC1)[C@H](CCC[C@H](CCCCCC)O)O