Chem
J-GLOBAL ID：201707016080619835   Nikkaji number：J3.531.665E

3α,6β-Bis[[(4R,7R)-4,7-diphenyltetrahydro-1,3,2-dioxaphosphepin 2-oxide]-2-yloxy]-1α,2β:4β,5β-di(isopropylidenebisoxy)cyclohexane

3α,6β-ビス[[(4R,7R)-4,7-ジフェニルテトラヒドロ-1,3,2-ジオキサホスフェピン2-オキシド]-2-イルオキシ]-1α,2β:4β,5β-ジ(イソプロピリデンビスオキシ)シクロヘキサン
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： C44H50O10[O-]2[P+]2
Molecular formula furigana： C44-H50-O12-P2
Molecular weight： 832.820
InChI： InChI=1S/C44H50O12P2/c1-43(2)47-37-38(48-43)42(56-58(46)53-35(31-21-13-7-14-22-31)27-28-36(54-58)32-23-15-8-16-24-32)40-39(49-44(3,4)50-40)41(37)55-57(45)51-33(29-17-9-5-10-18-29)25-26-34(52-57)30-19-11-6-12-20-30/h5-24,33-42H,25-28H2,1-4H3/t33-,34-,35-,36-,37-,38-,39-,40+,41+,42?/m1/s1
InChI key： AMIIHYZFUFVPGZ-WLEXGXTISA-N
SMILES： CC1(C)O[C@H]2[C@@H](O1)[C@@H](O[P+]1([O-])O[C@H](CC[C@@H](O1)c1ccccc1)c1ccccc1)[C@@H]1OC(C)(C)O[C@H]1C2O[P+]1([O-])O[C@H](CC[C@@H](O1)c1ccccc1)c1ccccc1
Systematic name  (3)：
  • 3α,6β-ビス[[(4R,7R)-4,7-ジフェニルテトラヒドロ-1,3,2-ジオキサホスフェピン2-オキシド]-2-イルオキシ]-1α,2β:4β,5β-ジ(イソプロピリデンビスオキシ)シクロヘキサン
  • (4R,7R)-4,7-ジフェニル-2-{[(1R,2R,3R,7R,9S)-5,5,11,11-テトラメチル-8-{[(4R,7R)-2-オキシド-4,7-ジフェニル-1,3,2-ジオキサホスフェパン-2-イウム-2-イル]オキシ}-4,6,10,12-テトラオキサトリシクロ[7.3.0.03,7]ドデカン-2-イル]オキシ}-1,3,2-ジオキサホスフェパン-2-イウム-2-オラート
  • (4R,7R)-4,7-diphenyl-2-{[(1R,2R,3R,7R,9S)-5,5,11,11-tetramethyl-8-{[(4R,7R)-2-oxido-4,7-diphenyl-1,3,2-dioxaphosphepan-2-ium-2-yl]oxy}-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-yl]oxy}-1,3,2-dioxaphosphepan-2-ium-2-olate
Other name (1)：
  • 3α,6β-Bis[[(4R,7R)-4,7-diphenyltetrahydro-1,3,2-dioxaphosphepin 2-oxide]-2-yloxy]-1α,2β:4β,5β-di(isopropylidenebisoxy)cyclohexane
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