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Substance Name: Squalestatin 3
RN: 142505-92-8
UNII: Y30NG2NO9Q
InChIKey: RUIMBWGGEYKRPS-UBAHACBWSA-N

Note

  • Inhibits squalene synthase; from fungus Phoma sp. (Coelomycetes).

Molecular Formula

  • C25-H30-O13

Molecular Weight

  • 538.499
 
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Names and Synonyms

Name of Substance

  • Squalestatin 3

Synonyms

  • (7S)-2,7-Anhydro-3,4-di-C-carboxy-8,9,10,12,13-pentadeoxy-10-methylene-12-(phenylmethyl)-L-erythro-L-glycero-D-altro-7-trideculo-7,4-furanosonic acid 11-acetate
  • Squalestatin 3
  • UNII-Y30NG2NO9Q

Systematic Name

  • L-erythro-L-glycero-D-altro-7-Trideculo-7,4-furanosonic acid, 2,7-anhydro-3,4-di-C-carboxy-8,9,10,12,13-pentadeoxy-10-methylene-12-(phenylmethyl)-, 11-acetate, (7S)-

Registry Numbers

CAS Registry Number

  • 142505-92-8

FDA UNII

  • Y30NG2NO9Q

System Generated Number

  • 0142505928

Structure Descriptors

InChI

1S/C25H30O13/c1-12(16(36-14(3)26)13(2)11-15-7-5-4-6-8-15)9-10-23-17(27)18(28)25(38-23,22(33)34)24(35,21(31)32)19(37-23)20(29)30/h4-8,13,16-19,27-28,35H,1,9-11H2,2-3H3,(H,29,30)(H,31,32)(H,33,34)/t13-,16-,17-,18-,19-,23+,24-,25+/m1/s1

InChIKey

RUIMBWGGEYKRPS-UBAHACBWSA-N

Smiles

C[C@H](Cc1ccccc1)[C@@H](C(=C)CC[C@@]23[C@@H]([C@H]([C@@](O2)([C@@]([C@H](O3)C(=O)O)(C(=O)O)O)C(=O)O)O)O)OC(=O)C