Chem
J-GLOBAL ID:200907031614036349
Nikkaji number:J2.021.885A
(3R,10S)-3,10-Bis[[(R)-2-methoxy-2-phenyl-3,3,3-trifluoropropionyl]oxy]-1,8-heptadecadiene-4,6-diyne
(3R,10S)-3,10-ビス[[(R)-2-メトキシ-2-フェニル-3,3,3-トリフルオロプロピオニル]オキシ]-1,8-ヘプタデカジエン-4,6-ジイン
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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:
C37 H38 F6 O6
Molecular formula furigana:
C37-H38-F6-O6
Molecular weight:
692.695
InChI:
InChI=1S/C37H38F6O6/c1-5-7-8-9-19-26-31(49-33(45)35(47-4,37(41,42)43)29-23-16-13-17-24-29)27-20-11-10-18-25-30(6-2)48-32(44)34(46-3,36(38,39)40)28-21-14-12-15-22-28/h6,12-17,20-24,27,30-31H,2,5,7-9,19,26H2,1,3-4H3/t30-,31+,34-,35-/m1/s1
InChI key:
NJZCGKUYHWRVPL-UGCMOBBOSA-N
SMILES:
CCCCCCC[C@H](OC(=O)[C@](OC)(c1ccccc1)C(F)(F)F)C=CC#CC#C[C@H](OC(=O)[C@](OC)(c1ccccc1)C(F)(F)F)C=C
Systematic name (3):
(3R,10S)-3,10-ビス[[(R)-2-メトキシ-2-フェニル-3,3,3-トリフルオロプロピオニル]オキシ]-1,8-ヘプタデカジエン-4,6-ジイン
(3R,10S)-10-{[(2R)-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}ヘプタデカ-1,8-ジエン-4,6-ジイン-3-イル (2R)-3,3,3-トリフルオロ-2-メトキシ-2-フェニルプロパノアート
(3R,10S)-10-{[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]oxy}heptadeca-1,8-dien-4,6-diyn-3-yl (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
Other name (1):
(3R,10S)-3,10-Bis[[(R)-2-methoxy-2-phenyl-3,3,3-trifluoropropionyl]oxy]-1,8-heptadecadiene-4,6-diyne
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