| SpectraBase Spectrum ID |
487kKRnChEq |
| Name |
11-beta-prostaglandin-F-2-alpha, 4TMS |
| Comments |
Derivatization type: 4 TMS (mass: 642.399); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000720; Note: The molecular formula of the structure shown is C20H34O5 - which differs from the formula reported for the mass spectrum (C32H66O5Si4) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C32H66O5Si4 |
| InChI |
InChI=1S/C32H66O5Si4/c1-14-15-18-21-27(34-38(2,3)4)24-25-29-28(22-19-16-17-20-23-32(33)37-41(11,12)13)30(35-39(5,6)7)26-31(29)36-40(8,9)10/h16,19,24-25,27-31H,14-15,17-18,20-23,26H2,1-13H3/b19-16-,25-24+/t27-,28+,29+,30-,31-/m0/s1 |
| InChIKey |
ZWRMXRMPDPQJCB-SKDULFKASA-N |
| Molecular Weight |
643.215 g/mol |
| SMILES |
CCCCC[C@@](\C=C\[C@@]1([C@@](C\C=C/CCCC(=O)O[Si](C)(C)C)([C@](C[C@@]1(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])[H])[H])(O[Si](C)(C)C)[H] |
| SPLASH |
splash10-002g-0910000000-5cc96e6cc98902f97cfb |
| Source of Spectrum |
FM-2019-720-0 |
| Synonyms |
11beta-PGF2alpha, 4TMS
11-epi-PGF2alpha, 4TMS
11-epi-PGF2a, 4TMS
11-epi-Prostaglandin F2a, 4TMS
11-epi-Prostaglandin F2alpha, 4TMS
CHEBI:27595, 4TMS
(Z)-7-[(1R,2R,3S,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid, 4TMS
Trimethylsilyl (Z)-7-((1R,2R,3S,5S)-3,5-bis((trimethylsilyl)oxy)-2-((S,E)-3-((trimethylsilyl)oxy)oct-1-en-1-yl)cyclopentyl)hept-5-enoate |
| Wiley ID |
1818398 |
