Chem
J-GLOBAL ID:200907000501558320   Nikkaji number:J221.648E

2,3-Dihydroxy-5-[(1,2,3,5,6,7,8,8aβ-octahydro-1,2β,5,5-tetramethylnaphthalen-1β-yl)methyl]-6-(sulfooxy)benzaldehyde

2,3-ジヒドロキシ-5-[(1,2,3,5,6,7,8,8aβ-オクタヒドロ-1,2β,5,5-テトラメチルナフタレン-1β-イル)メチル]-6-(スルホオキシ)ベンズアルデヒド
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: C22H30O7S
Molecular formula furigana: C22-H30-O7-S
Molecular weight: 438.540
InChI: InChI=1S/C22H30O7S/c1-13-7-8-16-17(6-5-9-21(16,2)3)22(13,4)11-14-10-18(24)19(25)15(12-23)20(14)29-30(26,27)28/h8,10,12-13,17,24-25H,5-7,9,11H2,1-4H3,(H,26,27,28)/t13-,17-,22-/m0/s1
InChI key: SWQYHJQOVFWSLJ-SRMJIJMDSA-N
SMILES: C[C@H]1CC=C2[C@H](CCCC2(C)C)[C@@]1(C)Cc1cc(O)c(O)c(C=O)c1OS(=O)(=O)O
Systematic name  (3):
  • 2,3-ジヒドロキシ-5-[(1,2,3,5,6,7,8,8aβ-オクタヒドロ-1,2β,5,5-テトラメチルナフタレン-1β-イル)メチル]-6-(スルホオキシ)ベンズアルデヒド
  • (6-{[(1S,2S,8aR)-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]メチル}-2-ホルミル-3,4-ジヒドロキシフェニル)オキシダンスルホン酸
  • (6-{[(1S,2S,8aR)-1,2,5,5-tetramethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]methyl}-2-formyl-3,4-dihydroxyphenyl)oxidanesulfonic acid
Other name (1):
  • 2,3-Dihydroxy-5-[(1,2,3,5,6,7,8,8aβ-octahydro-1,2β,5,5-tetramethylnaphthalen-1β-yl)methyl]-6-(sulfooxy)benzaldehyde
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