Chem
J-GLOBAL ID:200907073851017329
Nikkaji number:J1.667.955K
(6R,12R)-6,12-Dimethyl-13-[[(S)-3,3,3-trifluoro-2-phenyl-2-methoxypropanoyl]oxy]tridecanoic acid methyl ester
(6R,12R)-6,12-ジメチル-13-[[(S)-3,3,3-トリフルオロ-2-フェニル-2-メトキシプロパノイル]オキシ]トリデカン酸メチル
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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:
C26 H39 F3 O5
Molecular formula furigana:
C26-H39-F3-O5
Molecular weight:
488.588
InChI:
InChI=1S/C26H39F3O5/c1-20(14-11-12-18-23(30)32-3)13-7-5-8-15-21(2)19-34-24(31)25(33-4,26(27,28)29)22-16-9-6-10-17-22/h6,9-10,16-17,20-21H,5,7-8,11-15,18-19H2,1-4H3/t20-,21-,25+/m1/s1
InChI key:
ASZDHCKZMRRJEF-OTPAQWSUSA-N
SMILES:
COC(=O)CCCC[C@H](C)CCCCC[C@@H](C)COC(=O)[C@@](OC)(c1ccccc1)C(F)(F)F
Systematic name (3):
(6R,12R)-6,12-ジメチル-13-[[(S)-3,3,3-トリフルオロ-2-フェニル-2-メトキシプロパノイル]オキシ]トリデカン酸メチル
メチル (6R,12R)-6,12-ジメチル-13-{[(2S)-3,3,3-トリフルオロ-2-メトキシ-2-フェニルプロパノイル]オキシ}トリデカノアート
methyl (6R,12R)-6,12-dimethyl-13-{[(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]oxy}tridecanoate
Other name (1):
(6R,12R)-6,12-Dimethyl-13-[[(S)-3,3,3-trifluoro-2-phenyl-2-methoxypropanoyl]oxy]tridecanoic acid methyl ester
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