Chem
J-GLOBAL ID：201907003723804902
Nikkaji number：J3.732.925H
(4S)-4-[(1S,2R,5R)-4-[(tert-ブチルジメチルシリル)オキシ]-3-シアノ-6-オキサビシクロ[3.2.1]オクタ-3-エン-2-イル]-6,6,8-トリメチル-1,3-ジオキサスピロ[4.5]デカ-7-エン-7-イルトリフルオロメタンスルホナート
(4S)-4-[(1S,2R,5R)-4-[(tert-ブチルジメチルシリル)オキシ]-3-シアノ-6-オキサビシクロ[3.2.1]オクタ-3-エン-2-イル]-6,6,8-トリメチル-1,3-ジオキサスピロ[4.5]デカ-7-エン-7-イルトリフルオロメタンスルホナート
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
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
Molecular formula： C26H38F3NO7SSi
Molecular formula furigana： C26-H38-F3-N-O7-S-SI
Molecular weight： 593.730
InChI：
InChI=1S/C26H38F3NO7SSi/c1-15-9-10-25(24(5,6)21(15)36-38(31,32)26(27,28)29)22(34-14-35-25)19-16-11-18(33-13-16)20(17(19)12-30)37-39(7,8)23(2,3)4/h16,18-19,22H,9-11,13-14H2,1-8H3/t16-,18-,19-,22+,25?/m1/s1
InChI key：
GKDYWHAJJDPPDQ-RUJYZUSTSA-N
SMILES：
C1(=C(CCC2(C1(C)C)[C@H]([C@H]1C(=C([C@H]3C[C@@H]1CO3)O[Si](C)(C)C(C)(C)C)C#N)OCO2)C)OS(=O)(=O)C(F)(F)F
Systematic name (2)：
- (4S)-4-[(1S,2R,5R)-4-[(tert-ブチルジメチルシリル)オキシ]-3-シアノ-6-オキサビシクロ[3.2.1]オクタ-3-エン-2-イル]-6,6,8-トリメチル-1,3-ジオキサスピロ[4.5]デカ-7-エン-7-イルトリフルオロメタンスルホナート
- (4S)-4-[(1S,2R,5R)-4-[(tert-butyldimethylsilyl)oxy]-3-cyano-6-oxabicyclo[3.2.1]oct-3-en-2-yl]-6,6,8-trimethyl-1,3-dioxaspiro[4.5]dec-7-en-7-yl trifluoromethanesulfonate
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