Chem
J-GLOBAL ID：200907070114164893   Nikkaji number：J2.663.959J

Tuberculosinyl diphosphate

ツベルクロシニルジホスファート
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： C20H36O7P2
Molecular formula furigana： C20-H36-O7-P2
Molecular weight： 450.449
InChI： InChI=1S/C20H36O7P2/c1-15(11-14-26-29(24,25)27-28(21,22)23)10-13-20(5)16(2)8-9-17-18(20)7-6-12-19(17,3)4/h9,11,16,18H,6-8,10,12-14H2,1-5H3,(H,24,25)(H2,21,22,23)/b15-11+/t16-,18+,20+/m0/s1
InChI key： BPSHPRCHMGHBGC-AHKHSGQUSA-N
SMILES： C[C@H]1CC=C2[C@@H](CCCC2(C)C)[C@]1(C)CC/C(=C/COP(=O)(O)OP(=O)(O)O)/C
Systematic name  (4)：
  • (E)-5-(1,2β,5,5-テトラメチル-1,2,3,5,6,7,8,8aα-オクタヒドロナフタレン-1α-イル)-3-メチル-2-ペンテン-1-オールジホスファート
  • 二りん酸α-[(E)-3-メチル-5-[(1R)-1,2β,5,5-テトラメチル-1,2,3,5,6,7,8,8aα-オクタヒドロナフタレン-1α-イル]-2-ペンテニル]
  • [({[(2E)-5-[(1R,2S,8aS)-1,2,5,5-テトラメチル-1,2,3,5,6,7,8,8a-オクタヒドロナフタレン-1-イル]-3-メチルペンタ-2-エン-1-イル]オキシ}(ヒドロキシ)ホスホリル)オキシ]ホスホン酸
  • [({[(2E)-5-[(1R,2S,8aS)-1,2,5,5-tetramethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]-3-methylpent-2-en-1-yl]oxy}(hydroxy)phosphoryl)oxy]phosphonic acid
Other name (4)：
  • (E)-5-(1,2β,5,5-Tetramethyl-1,2,3,5,6,7,8,8aα-octahydronaphthalene-1α-yl)-3-methyl-2-pentene-1-ol diphosphate
  • Diphosphoric acid α-[(E)-3-methyl-5-[(1R)-1,2β,5,5-tetramethyl-1,2,3,5,6,7,8,8aα-octahydronaphthalene-1α-yl]-2-pentenyl] ester
  • ツベルクロシニルジホスファート
  • Tuberculosinyl diphosphate
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