| SpectraBase Spectrum ID |
483DxVqV50V |
| Name |
Prostaglandin A2, 2TMS, 1MEOX |
| Alternate Name(s) |
Medullin, 2TMS, 1MEOX
(+)-Prostaglandin A2, 2TMS, 1MEOX
PGA2, 2TMS, 1MEOX
(15S)-Prostaglandin A2, 2TMS, 1MEOX
5, 6-cis-PGA2, 2TMS, 1MEOX
7-[2-(3-hydroxyoct-1-enyl)-5-oxo-1-cyclopent-3-enyl]hept-5-enoic acid, 2TMS, 1MEOX
(E)-7-(2-((Z)-3-hydroxyoct-1-en-1-yl)-5-oxocyclopent-3-en-1-yl)hept-5-enoic acid |
| Comments |
Non-derivatized structure shown; Derivatization type: 2 TMS (mass: 507.32); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000792; Note: The molecular formula of the structure shown is C20H30O4 - which differs from the formula reported for the mass spectrum (C27H49NO4Si2) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H49NO4Si2 |
| InChI |
InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4+,14-12- |
| InChIKey |
MYHXHCUNDDAEOZ-IKCFYWAESA-N |
| Molecular Weight |
334.456 g/mol |
| SMILES |
OC(\C=C/C1C(C\C=C\CCCC(=O)O)C(C=C1)=O)CCCCC |
| SPLASH |
splash10-017v-1910000000-e4c9485c0e46164948cb |
| Source of Spectrum |
FM-2019-792-0 |
| Wiley ID |
1818466 |
