| SpectraBase Spectrum ID |
2mIsQIJM4wa |
| Name |
Ergosterol TMS |
| Classification |
Pharmaceutical drug derivative |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
468.378742828 u |
| Formula |
C31H52OSi |
| InChI |
InChI=1S/C31H52OSi/c1-21(2)22(3)10-11-23(4)27-14-15-28-26-13-12-24-20-25(32-33(7,8)9)16-18-30(24,5)29(26)17-19-31(27,28)6/h10-13,21-23,25,27-29H,14-20H2,1-9H3/b11-10+/t22-,23+,25-,27+,28-,29-,30-,31+/m0/s1 |
| InChIKey |
OPWXUPLJCANTIU-SCFYJWQTSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
468.841 g/mol |
| Nominal Mass |
468 u |
| Quality |
965 |
| Retention Index |
3562 |
| SMILES |
[C@]12([C@@]([C@](CC2)([C@@](\C=C\[C@@](C(C)C)(C)[H])(C)[H])[H])(CC[C@]2(C1=CC=C1[C@@]2(CC[C@@](C1)(O[Si](C)(C)C)[H])C)[H])C)[H] |
| SPLASH |
splash10-03di-2943000000-bf61bd2c1bfe332b9493 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Ergosterin TMS
Provitamin D2 TMS
(((1R,3aR,7S,9aR,9bS,11aR)-1-((2R,3E,5R)-5,6-dimethylhept-3-en-2-yl)-9a,11a-dimethyl-2,3,3a,6,\r7,8,9,9a,9b,10,11,11a-dodecahydro-1H-cyclopenta[a]phenanthren-7-yl)oxy)(trimethyl)silane |
| Technique |
GC/MS |
| Wiley ID |
DD2024_000013 |
