Chem
J-GLOBAL ID：200907033780244874   Nikkaji number：J1.836.654A

(8α)-Cleroda-3,13-diene-15-ol diphosphate

(8α)-クレロダ-3,13-ジエン-15-オールジホスファート
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)9-12-19(4)17(3)10-13-20(5)16(2)7-6-8-18(19)20/h7,11,17-18H,6,8-10,12-14H2,1-5H3,(H,24,25)(H2,21,22,23)/t17-,18+,19-,20-/m1/s1
InChI key： LKJRXYMJDDAXEN-IYWMVGAKSA-N
SMILES： C[C@@H]1CC[C@@]2(C)[C@@H](CCC=C2C)[C@]1(C)CCC(=CCOP(=O)(O)OP(=O)(O)O)C
Systematic name  (4)：
  • (8α)-クレロダ-3,13-ジエン-15-オールジホスファート
  • 5-[[(1R)-1,2α,4aβ,5-テトラメチル-1,2,3,4,4a,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
  • {[({5-[(1R,2R,4aS,8aS)-1,2,4a,5-テトラメチル-1,2,3,4,4a,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,2R,4aS,8aS)-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl]-3-methylpent-2-en-1-yl}oxy)(hydroxy)phosphoryl]oxy}phosphonic acid
Other name (2)：
  • (8α)-Cleroda-3,13-diene-15-ol diphosphate
  • 5-[[(1R)-1,2α,4aβ,5-Tetramethyl-1,2,3,4,4a,7,8,8aα-octahydronaphthalene]-1α-yl]-3-methyl-2-pentene-1-ol diphosphate
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