Chem
J-GLOBAL ID：200907075165775937
Nikkaji number：J1.584.142G
(5R,6Z)-2,2,6-Trimethyl-5-[[(R)-α-methyl-2,4,6-triisopropylbenzyl]oxy]-8-(methylsulfonyl)-6-octene-3-one
(5R,6Z)-2,2,6-トリメチル-5-[[(R)-α-メチル-2,4,6-トリイソプロピルベンジル]オキシ]-8-(メチルスルホニル)-6-オクテン-3-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： C29H48O4S
Molecular formula furigana： C29-H48-O4-S
Molecular weight： 492.760
InChI：
InChI=1S/C29H48O4S/c1-18(2)23-15-24(19(3)4)28(25(16-23)20(5)6)22(8)33-26(17-27(30)29(9,10)11)21(7)13-14-34(12,31)32/h13,15-16,18-20,22,26H,14,17H2,1-12H3/b21-13-/t22-,26-/m1/s1
InChI key：
SVMLSYHDIFPWND-UNNRXOCSSA-N
SMILES：
CC(C)c1cc(C(C)C)c([C@@H](C)O[C@H](CC(=O)C(C)(C)C)/C(=C\CS(=O)(=O)C)/C)c(c1)C(C)C
Systematic name (3)：
- (5R,6Z)-2,2,6-トリメチル-5-[[(R)-α-メチル-2,4,6-トリイソプロピルベンジル]オキシ]-8-(メチルスルホニル)-6-オクテン-3-オン
- (5R,6Z)-8-メタンスルホニル-2,2,6-トリメチル-5-[(1R)-1-[2,4,6-トリス(プロパン-2-イル)フェニル]エトキシ]オクタ-6-エン-3-オン
- (5R,6Z)-8-methanesulfonyl-2,2,6-trimethyl-5-[(1R)-1-[2,4,6-tris(propan-2-yl)phenyl]ethoxy]oct-6-en-3-one
- (5R,6Z)-2,2,6-Trimethyl-5-[[(R)-α-methyl-2,4,6-triisopropylbenzyl]oxy]-8-(methylsulfonyl)-6-octene-3-one
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