Chem
J-GLOBAL ID：200907050006589100   Nikkaji number：J1.467.448I

2-O,3-O-[(1R,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptane-2-ylidene]-D-myo-inositol 1-(4-methylbenzenesulfonate)

2-O,3-O-[(1R,4R)-1,7,7-トリメチルビシクロ[2.2.1]ヘプタン-2-イリデン]-D-myo-イノシトール1-(4-メチルベンゼンスルホナート)
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： C23H32O8S
Molecular formula furigana： C23-H32-O8-S
Molecular weight： 468.560
InChI： InChI=1S/C23H32O8S/c1-12-5-7-14(8-6-12)32(27,28)31-19-17(26)15(24)16(25)18-20(19)30-23(29-18)11-13-9-10-22(23,4)21(13,2)3/h5-8,13,15-20,24-26H,9-11H2,1-4H3/t13-,15+,16+,17-,18-,19+,20-,22-,23?/m1/s1
InChI key： YHOZBRAKVJUJMJ-WHXPADPASA-N
SMILES： Cc1ccc(cc1)S(=O)(=O)O[C@@H]1[C@@H]2OC3(C[C@H]4CC[C@]3(C)C4(C)C)O[C@@H]2[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 2-O,3-O-[(1R,4R)-1,7,7-トリメチルビシクロ[2.2.1]ヘプタン-2-イリデン]-D-myo-イノシトール1-(4-メチルベンゼンスルホナート)
  • (1'R,3aR,4S,4'R,5R,6S,7S,7aR)-5,6,7-トリヒドロキシ-1',7',7'-トリメチル-ヘキサヒドロスピロ[1,3-ベンゾジオキソール-2,2'-ビシクロ[2.2.1]ヘプタン]-4-イル 4-メチルベンゼン-1-スルホナート
  • (1'R,3aR,4S,4'R,5R,6S,7S,7aR)-5,6,7-trihydroxy-1',7',7'-trimethyl-hexahydrospiro[1,3-benzodioxole-2,2'-bicyclo[2.2.1]heptan]-4-yl 4-methylbenzene-1-sulfonate
Other name (1)：
  • 2-O,3-O-[(1R,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptane-2-ylidene]-D-myo-inositol 1-(4-methylbenzenesulfonate)
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM