Chem
J-GLOBAL ID：200907089460706611   Nikkaji number：J1.069.295D

Pentakis[(S)-α-(trifluoromethyl)-α-methoxybenzeneacetic acid](3E,5R,7E,9R,13R)-3,7-nonadecadiene-1,5,9,13,19-pentyl ester

ペンタキス[(S)-α-(トリフルオロメチル)-α-メトキシベンゼン酢酸](3E,5R,7E,9R,13R)-3,7-ノナデカジエン-1,5,9,13,19-ペンタイル
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： C69H71F15O15
Molecular formula furigana： C69-H71-F15-O15
Molecular weight： 1425.288
InChI： InChI=1S/C69H71F15O15/c1-90-60(65(70,71)72,47-29-13-8-14-30-47)55(85)95-45-25-7-6-23-39-52(97-57(87)62(92-3,67(76,77)78)49-33-17-10-18-34-49)41-27-43-54(99-59(89)64(94-5,69(82,83)84)51-37-21-12-22-38-51)44-28-42-53(98-58(88)63(93-4,68(79,80)81)50-35-19-11-20-36-50)40-24-26-46-96-56(86)61(91-2,66(73,74)75)48-31-15-9-16-32-48/h8-22,24,28-38,40,44,52-54H,6-7,23,25-27,39,41-43,45-46H2,1-5H3/b40-24+,44-28+/t52-,53+,54-,60+,61+,62+,63+,64+/m1/s1
InChI key： NZGDAJXDGIYIHY-HWPTZXHTSA-N
SMILES： CO[C@](C(=O)OCCCCCC[C@H](CCC[C@@H](OC(=O)[C@@](OC)(c1ccccc1)C(F)(F)F)/C=C/C[C@@H](OC(=O)[C@@](OC)(c1ccccc1)C(F)(F)F)/C=C/CCOC(=O)[C@@](OC)(c1ccccc1)C(F)(F)F)OC(=O)[C@@](OC)(c1ccccc1)C(F)(F)F)(c1ccccc1)C(F)(F)F
Systematic name  (3)：
  • ペンタキス[(S)-α-(トリフルオロメチル)-α-メトキシベンゼン酢酸](3E,5R,7E,9R,13R)-3,7-ノナデカジエン-1,5,9,13,19-ペンタイル
  • (3E,5R,7E,9R,13R)-1,5,13,19-テトラキス({[(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})ノナデカ-3,7-ジエン-9-イル (2S)-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
  • (3E,5R,7E,9R,13R)-1,5,13,19-tetrakis({[(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]oxy})nonadeca-3,7-dien-9-yl (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
Other name (1)：
  • Pentakis[(S)-α-(trifluoromethyl)-α-methoxybenzeneacetic acid](3E,5R,7E,9R,13R)-3,7-nonadecadiene-1,5,9,13,19-pentyl ester
Thsaurus map：
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