Nazwa analitu

Pseudoprotodioscin

Numer CAS

102115-79-7

Wzór cząsteczkowy

C52 H84 O20

Masa cząsteczkowa

1029.21

Dokładna masa

1028.5556

SMILES

C[C@H](CCC1=C(C)[C@H]2[C@H](CC3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7C[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)O1)CO[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O

InChI

InChI=1S/C52H84O20/c1-21(20-65-48-43(62)42(61)39(58)33(18-53)70-48)7-10-30-23(3)35-31(68-30)17-29-27-9-8-25-16-26(11-13-51(25,5)28(27)12-14-52(29,35)6)67-50-47(72-49-44(63)41(60)37(56)24(4)66-49)45(64)46(34(19-54)71-50)69-32-15-22(2)36(55)40(59)38(32)57/h8,21-22,24,26-29,31-50,53-64H,7,9-20H2,1-6H3/t21-,22-,24+,26+,27-,28+,29?,31+,32-,33-,34-,35+,36+,37+,38+,39-,40-,41-,42+,43-,44-,45+,46-,47-,48-,49+,50-,51+,52+/m1/s1

IUPAC

(2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(1S,2S,4S,8S,9S,12S,13R)-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-6,18-dien-16-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol

Temperatura przechowywania

-20°C

Temperatura podczas transportu

Room Temperature

Kraj pochodzenia

CANADA

Rodzaj produktu

Bioactive Small Molecule

Postać produktu

Neat