Chem
J-GLOBAL ID：201007004206246460
Nikkaji number：J2.887.640H
(5R)-3-Methoxy-5α-[(1S,2R,3S)-1,3-dimethyl-2-(tert-butyldimethylsiloxy)pentyl]-6β-nitro-2-cyclohexene-1-one
(5R)-3-メトキシ-5α-[(1S,2R,3S)-1,3-ジメチル-2-(tert-ブチルジメチルシロキシ)ペンチル]-6β-ニトロ-2-シクロヘキセン-1-オン
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： C20H37[N+]O4[O-]Si
Molecular formula furigana： C20-H37-N-O5-SI
Molecular weight： 399.603
InChI：
InChI=1S/C20H37NO5Si/c1-10-13(2)19(26-27(8,9)20(4,5)6)14(3)16-11-15(25-7)12-17(22)18(16)21(23)24/h12-14,16,18-19H,10-11H2,1-9H3/t13-,14-,16+,18+,19+/m0/s1
InChI key：
PDOGYTYAYQUKSI-DFXHGPDCSA-N
SMILES：
CC[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@H]1CC(=CC(=O)[C@@H]1[N+](=O)[O-])OC
Systematic name (3)：
- (5R)-3-メトキシ-5α-[(1S,2R,3S)-1,3-ジメチル-2-(tert-ブチルジメチルシロキシ)ペンチル]-6β-ニトロ-2-シクロヘキセン-1-オン
- (5R,6R)-5-[(2S,3R,4S)-3-[(tert-ブチルジメチルシリル)オキシ]-4-メチルヘキサン-2-イル]-3-メトキシ-6-ニトロシクロヘキサ-2-エン-1-オン
- (5R,6R)-5-[(2S,3R,4S)-3-[(tert-butyldimethylsilyl)oxy]-4-methylhexan-2-yl]-3-methoxy-6-nitrocyclohex-2-en-1-one
- (5R)-3-Methoxy-5α-[(1S,2R,3S)-1,3-dimethyl-2-(tert-butyldimethylsiloxy)pentyl]-6β-nitro-2-cyclohexene-1-one
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