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Substance Name: Squalestatin 2
RN: 142505-91-7
UNII: XEK17SRP1C
InChIKey: YQJGFEMAMZRZOE-FGICSGBJSA-N

Note

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

Molecular Formula

  • C33-H44-O13

Molecular Weight

  • 648.6976
 
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Names and Synonyms

Name of Substance

  • Squalestatin 2

Synonyms

  • (5(2E,4S,6S),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 5-(4,6-dimethyl-2-octenoate)
  • Squalestatin 2
  • UNII-XEK17SRP1C

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)-, 5-(4,6-dimethyl-2-octenoate), (5(2E,4S,6S),7S)-

Registry Numbers

CAS Registry Number

  • 142505-91-7

FDA UNII

  • XEK17SRP1C

System Generated Number

  • 0142505917

Structure Descriptors

InChI

1S/C33H44O13/c1-6-18(2)16-19(3)12-13-23(34)44-26-25(36)31(15-14-20(4)24(35)21(5)17-22-10-8-7-9-11-22)45-27(28(37)38)32(43,29(39)40)33(26,46-31)30(41)42/h7-13,18-19,21,24-27,35-36,43H,4,6,14-17H2,1-3,5H3,(H,37,38)(H,39,40)(H,41,42)/b13-12+/t18-,19+,21+,24+,25+,26+,27+,31-,32+,33-/m0/s1

InChIKey

YQJGFEMAMZRZOE-FGICSGBJSA-N

Smiles

CC[C@H](C)C[C@H](C)/C=C/C(=O)O[C@@H]1[C@H]([C@]2(O[C@@H]([C@]([C@@]1(O2)C(=O)O)(C(=O)O)O)C(=O)O)CCC(=C)[C@H]([C@H](C)Cc3ccccc3)O)O