| SpectraBase Spectrum ID |
CkvrqUgV0Lb |
| Name |
naringin, 8TMS |
| Alternate Name(s) |
Naringoside, 8TMS
Prestwick0_000467, 8TMS
Prestwick1_000467, 8TMS
Naringenin 7-O-neohesperidoside, 8TMS
4'5-diOH-Flavone-7-rhgluc, 8TMS
(2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chroman-4-one, 8TMS
(S)-7-(((2S,3R,4R,5R,6R)-3-(((2S,3R,4R,5S,6S)-6-methyl-3,4,5-tris((trimethylsilyl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-4,5-bis((trimethylsilyl)oxy)-6-(((trimethylsilyl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)-5-((trimethylsilyl)oxy)-2-(4-((trimethylsilyl)oxy)phenyl)chroman-4-one |
| Comments |
Derivatization type: 8 TMS (mass: 1156.495); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000866; Note: The molecular formula of the structure shown is C27H32O14 - which differs from the formula reported for the mass spectrum (C51H96O14Si8) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C51H96O14Si8 |
| InChI |
InChI=1S/C51H96O14Si8/c1-34-44(61-69(11,12)13)46(63-71(17,18)19)49(65-73(23,24)25)51(54-34)58-48-47(64-72(20,21)22)45(62-70(14,15)16)42(33-53-66(2,3)4)57-50(48)55-37-30-40-43(41(31-37)60-68(8,9)10)38(52)32-39(56-40)35-26-28-36(29-27-35)59-67(5,6)7/h26-31,34,39,42,44-51H,32-33H2,1-25H3/t34-,39-,42+,44-,45+,46+,47-,48+,49+,50+,51-/m0/s1 |
| InChIKey |
KSAMZDLNUNJNIH-KLMFQEKNSA-N |
| Molecular Weight |
1157.995 g/mol |
| SMILES |
C[C@]1([C@@]([C@]([C@]([C@@](O1)(O[C@@]1([C@]([C@@]([C@@](CO[Si](C)(C)C)(O[C@]1(Oc1cc(c2C(C[C@@](c3ccc(cc3)O[Si](C)(C)C)(Oc2c1)[H])=O)O[Si](C)(C)C)[H])[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])[H])[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])[H] |
| SPLASH |
splash10-014j-0920000000-350bda4f263e4440e76a |
| Source of Spectrum |
FM-2019-866-0 |
| Wiley ID |
1818535 |
