| SpectraBase Spectrum ID |
JHF0zCJQ8iO |
| Name |
Hesperidine |
| CAS Registry Number |
520-26-3 |
| Classification |
Pharmaceutical drug, anti-inflammatory |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
610.189770380 u |
| Formula |
C28H34O15 |
| InChI |
InChI=1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3/t10-,17?,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1 |
| InChIKey |
QUQPHWDTPGMPEX-NXNSLOOGSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
610.565 g/mol |
| Nominal Mass |
610 u |
| Quality |
959 |
| Retention Index |
4495 |
| SMILES |
OC1=CC(C2CC(C=3C(=CC(O[C@]4([C@@]([C@]([C@@]([C@@](CO[C@@]5([C@@]([C@@]([C@]([C@@](O5)(C)[H])(O)[H])(O)[H])(O)[H])[H])(O4)[H])(O)[H])(O)[H])(O)[H])[H])=CC3O)O2)=O)=CC=C1OC |
| SPLASH |
splash10-0udr-6911000000-735b1c106ac3d227308c |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Cirantin
Hesperidin
Hesperidoside
3',5-Dihydroxy-4'-methoxy-7-[O-b-1-rhamnopyranosyl-(1->6)-N-glucopyranosyloxy]-flavone |
| Technique |
GC/MS |
| Wiley ID |
DD2024_009153 |
