Chem
J-GLOBAL ID：201507007165965347   Nikkaji number：J3.342.758A

Sulfuric acid (3S,11E)-3β-methyl-1-oxo-7α,16-dihydroxy-3,4,5,6,7,8,9,10-octahydro-1H-2-benzooxacyclotetradecin-14-yl ester

硫酸(3S,11E)-3β-メチル-1-オキソ-7α,16-ジヒドロキシ-3,4,5,6,7,8,9,10-オクタヒドロ-1H-2-ベンゾオキサシクロテトラデシン-14-イル
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： C18H24O8S
Molecular formula furigana： C18-H24-O8-S
Molecular weight： 400.440
InChI： InChI=1S/C18H24O8S/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(26-27(22,23)24)11-16(20)17(13)18(21)25-12/h3,7,10-12,14,19-20H,2,4-6,8-9H2,1H3,(H,22,23,24)/b7-3+/t12-,14+/m0/s1
InChI key： GGQQQXLRDPSYCR-QDKLYSGJSA-N
SMILES： C[C@H]1CCC[C@H](O)CCC/C=C/c2cc(OS(=O)(=O)O)cc(O)c2C(=O)O1
Systematic name  (3)：
  • 硫酸(3S,11E)-3β-メチル-1-オキソ-7α,16-ジヒドロキシ-3,4,5,6,7,8,9,10-オクタヒドロ-1H-2-ベンゾオキサシクロテトラデシン-14-イル
  • [(3S,7R,11E)-7,16-ジヒドロキシ-3-メチル-1-オキソ-3,4,5,6,7,8,9,10-オクタヒドロ-1H-2-ベンゾオキサシクロテトラデシン-14-イル]オキシダンスルホン酸
  • [(3S,7R,11E)-7,16-dihydroxy-3-methyl-1-oxo-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-14-yl]oxidanesulfonic acid
Other name (1)：
  • Sulfuric acid (3S,11E)-3β-methyl-1-oxo-7α,16-dihydroxy-3,4,5,6,7,8,9,10-octahydro-1H-2-benzooxacyclotetradecin-14-yl ester
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