| SpectraBase Spectrum ID |
8IQKHnInOSW |
| Name |
Diosgenin |
| CAS Registry Number |
512-04-9 |
| Classification |
Sapogenin |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
414.313395209 u |
| Formula |
C27H42O3 |
| InChI |
InChI=1S/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28H,6-15H2,1-4H3/t16-,17+,19+,20?,21?,22+,23+,24?,25?,26+,27-/m1/s1 |
| InChIKey |
WQLVFSAGQJTQCK-XFUDLOILSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
414.630 g/mol |
| Nominal Mass |
414 u |
| Quality |
994 |
| Retention Index |
3176 |
| SMILES |
O[C@@]1(CC=2C(C3C([C@]4([C@@](C5[C@](C4)(O[C@]4([C@]5(C)[H])OC[C@@](CC4)(C)[H])[H])(CC3)C)[H])CC2)(CC1)C)[H] |
| SPLASH |
splash10-000i-3941000000-d49152810937e2489ba8 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo-\r[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-ol |
| Technique |
GC/MS |
| Wiley ID |
DD2024_033038 |
