4-Cyanobenzoic acid (3S)-3α-(di-tert-butylfluorosilyl)-4β-(hydroxymethyl)-11-oxo-1,3,4,4aβ,5,6,6a,12,12aβ,12b-decahydro-12α-hydroxy-4,6aα,12bα-trimethyl-9-(3-pyridinyl)-2H,11H-naphtho[2,1-b]pyrano[3,4-e]pyran-6α-yl ester

4-シアノ安息香酸(3S)-3α-(ジ-tert-ブチルフルオロシリル)-4β-(ヒドロキシメチル)-11-オキソ-1,3,4,4aβ,5,6,6a,12,12aβ,12b-デカヒドロ-12α-ヒドロキシ-4,6aα,12bα-トリメチル-9-(3-ピリジニル)-2H,11H-ナフト[2,1-b]ピラノ[3,4-e]ピラン-6α-イル

Decided structure
Molecular formula： C₄₁H₅₁FN₂O₇Si
Molecular formula furigana： C41-H51-F-N2-O7-SI
Molecular weight： 730.949

InChI： InChI=1S/C41H51FN2O7Si/c1-37(2,3)52(42,38(4,5)6)31-16-17-39(7)29(40(31,8)23-45)20-30(50-35(47)25-14-12-24(21-43)13-15-25)41(9)34(39)33(46)32-28(51-41)19-27(49-36(32)48)26-11-10-18-44-22-26/h10-15,18-19,22,29-31,33-34,45-46H,16-17,20,23H2,1-9H3/t29-,30+,31+,33+,34-,39+,40+,41-/m1/s1

InChI key： SKTWMEPKMAYUCB-XFMJBVJYSA-N

SMILES： CC(C)(C)[Si](F)([C@H]1CC[C@@]2(C)[C@@H](C[C@H](OC(=O)c3ccc(cc3)C#N)[C@@]3(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]23)c2cccnc2)[C@]1(C)CO)C(C)(C)C

Systematic name (3)：

4-シアノ安息香酸(3S)-3α-(ジ-tert-ブチルフルオロシリル)-4β-(ヒドロキシメチル)-11-オキソ-1,3,4,4aβ,5,6,6a,12,12aβ,12b-デカヒドロ-12α-ヒドロキシ-4,6aα,12bα-トリメチル-9-(3-ピリジニル)-2H,11H-ナフト[2,1-b]ピラノ[3,4-e]ピラン-6α-イル
(5aS,6S,7aR,8R,9S,11aS,11bS,12R)-9-[ジ-tert-ブチル(フルオロ)シリル]-12-ヒドロキシ-8-(ヒドロキシメチル)-5a,8,11a-トリメチル-1-オキソ-3-(ピリジン-3-イル)-1,5a,6,7,7a,8,9,10,11,11a,11b,12-ドデカヒドロ-2,5-ジオキサテトラフェン-6-イル 4-シアノベンゾアート
(5aS,6S,7aR,8R,9S,11aS,11bS,12R)-9-[di-tert-butyl(fluoro)silyl]-12-hydroxy-8-(hydroxymethyl)-5a,8,11a-trimethyl-1-oxo-3-(pyridin-3-yl)-1,5a,6,7,7a,8,9,10,11,11a,11b,12-dodecahydro-2,5-dioxatetraphen-6-yl 4-cyanobenzoate

Other name (1)：

4-Cyanobenzoic acid (3S)-3α-(di-tert-butylfluorosilyl)-4β-(hydroxymethyl)-11-oxo-1,3,4,4aβ,5,6,6a,12,12aβ,12b-decahydro-12α-hydroxy-4,6aα,12bα-trimethyl-9-(3-pyridinyl)-2H,11H-naphtho[2,1-b]pyrano[3,4-e]pyran-6α-yl ester

Thsaurus map：

Thesaurus Map

Return to Previous Page