Chem
J-GLOBAL ID：200907016322982171   Nikkaji number：J2.030.739K

Photovastatin CAA1

ホトバスタチンCAA1
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C33H37FN3[N-]2[N+]2NaO5
Molecular formula furigana： C33-H37-F-N7-NA-O5
Molecular weight： 653.691
InChI： InChI=1S/C33H38FN7O5.Na/c1-19(2)32-28(10-9-26(42)14-27(43)15-30(44)45)31(23-5-7-24(34)8-6-23)29(33(38-32)20(3)4)18-46-17-22-11-21(16-37-40-35)12-25(13-22)39-41-36;/h5-13,19-20,26-27,42-43H,14-18H2,1-4H3,(H,44,45);/q;+1/p-1/b10-9+;/t26-,27-;/m1./s1
InChI key： KZMIZTVCDMBGDW-VWRMCOLHSA-M
SMILES： CC(C)c1nc(C(C)C)c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O[Na])c(c2ccc(F)cc2)c1COCc1cc(CN=[N+]=[N-])cc(c1)N=[N+]=[N-]
Systematic name  (3)：
  • (3R,5S,6E)-3,5-ジヒドロキシ-7-[2,6-ジイソプロピル-4-(4-フルオロフェニル)-5-[[[3-アジド-5-(アジドメチル)ベンジル]オキシ]メチル]-3-ピリジニル]-6-ヘプテン酸ナトリウム
  • ナトリウム (3R,5S,6E)-7-[5-({[3-アジド-5-(アジドメチル)フェニル]メトキシ}メチル)-4-(4-フルオロフェニル)-2,6-ビス(プロパン-2-イル)ピリジン-3-イル]-3,5-ジヒドロキシヘプタ-6-エノアート
  • sodium (3R,5S,6E)-7-[5-({[3-azido-5-(azidomethyl)phenyl]methoxy}methyl)-4-(4-fluorophenyl)-2,6-bis(propan-2-yl)pyridin-3-yl]-3,5-dihydroxyhept-6-enoate
Other name (3)：
  • (3R,5S,6E)-3,5-Dihydroxy-7-[2,6-diisopropyl-4-(4-fluorophenyl)-5-[[[3-azido-5-(azidomethyl)benzyl]oxy]methyl]-3-pyridinyl]-6-heptenoic acid sodium salt
  • ホトバスタチンCAA1
  • Photovastatin CAA1
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