Nazwa analitu

3-[2-(Trifluoromethyl)phenyl]propionic Acid

Numer CAS

94022-99-8

Wzór cząsteczkowy

C47 H80 O19

Masa cząsteczkowa

949.127

Dokładna masa

948.529

SMILES

C[C@@H](C(O)[C@H](O)[C@@H](O)C(C)(C)O)[C@H]1CC[C@]2(C)[C@@H]3CC=C4[C@H](CC[C@H](O[C@@H]5OC(CO[C@@H]6OC(CO)[C@H](O)C(O)C6O)[C@H](O[C@@H]7OC[C@H](O)C(O)C7O)C(O)C5O)C4(C)C)[C@]3(C)CC[C@]12C

InChI

InChI=1S/C47H80O19/c1-20(29(50)34(55)39(59)44(4,5)60)21-13-14-47(8)27-11-9-22-23(45(27,6)15-16-46(21,47)7)10-12-28(43(22,2)3)65-42-37(58)33(54)38(66-41-35(56)30(51)24(49)18-61-41)26(64-42)19-62-40-36(57)32(53)31(52)25(17-48)63-40/h9,20-21,23-42,48-60H,10-19H2,1-8H3/t20-,21-,23+,24+,25?,26?,27-,28+,29?,30?,31+,32?,33?,34+,35?,36?,37?,38+,39-,40-,41+,42+,45+,46-,47-/m1/s1

IUPAC

(3R,4S,6R)-6-[(3S,8R,9R,10R,13R,14R,17R)-3-[(2R,5R)-3,4-dihydroxy-6-[[(2R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-[(2S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptane-2,3,4,5-tetrol

Temperatura przechowywania

-20°C

Temperatura podczas transportu

Room Temperature

Kraj pochodzenia

CANADA

Rodzaj produktu

API

Postać produktu

Neat