Chem
J-GLOBAL ID：200907090954337641   Nikkaji number：J2.512.249F

Tuberculosinol PP

ツベルクロシノールPP
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)/t16-,18+,20+/m0/s1
InChI key： BPSHPRCHMGHBGC-ILZDJORESA-N
SMILES： C[C@H]1CC=C2[C@@H](CCCC2(C)C)[C@]1(C)CCC(=CCOP(=O)(O)OP(=O)(O)O)C
Systematic name  (3)：
  • 1-[(4aS)-1,1,5β,6β-テトラメチル-1,2,3,4,4aα,5,6,7-オクタヒドロナフタレン-5-イル]-3-メチル-3-ペンテン-5-オールジホスファート
  • {[({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
  • {[({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 (3)：
  • 1-[(4aS)-1,1,5β,6β-Tetramethyl-1,2,3,4,4aα,5,6,7-octahydronaphthalene-5-yl]-3-methyl-3-pentene-5-ol diphosphate
  • ツベルクロシノールPP
  • Tuberculosinol PP
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