| SpectraBase Compound ID | 48UsqZ52ah2 |
|---|---|
| InChI | InChI=1S/C27H40O5Se/c1-3-4-6-10-19(28)15-16-21-22-17-25(32-24(22)18-23(21)29)26(13-9-14-27(30)31-2)33-20-11-7-5-8-12-20/h5,7-8,11-12,15-16,19,21-26,28-29H,3-4,6,9-10,13-14,17-18H2,1-2H3/b16-15+/t19-,21+,22+,23+,24-,25+,26+/m1/s1 |
| InChIKey | WBARESFNZHIKIR-IPPUFGBBSA-N |
| Mol Weight | 523.6 g/mol |
| Molecular Formula | C27H40O5Se |
| Exact Mass | 524.204096 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EMyeETV4pRG |
|---|---|
| Name | 5R-PHENYLSELENO-6R-PROSTAGLANDIN PGI1 METHYL ESTER |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C27H40O5Se |
| InChI | InChI=1S/C27H40O5Se/c1-3-4-6-10-19(28)15-16-21-22-17-25(32-24(22)18-23(21)29)26(13-9-14-27(30)31-2)33-20-11-7-5-8-12-20/h5,7-8,11-12,15-16,19,21-26,28-29H,3-4,6,9-10,13-14,17-18H2,1-2H3/b16-15+/t19-,21+,22+,23+,24-,25+,26+/m1/s1 |
| InChIKey | WBARESFNZHIKIR-IPPUFGBBSA-N |
| Instrument Name | Bruker WH-90 |
| Literature Reference | T.VALIMAE, T.PEHK, E.LIPPMAA, M.LOPP, U.LILLE (1986) Izv.Akad.Nauk Estonii,Khim.(Russ. Lang.): v.35, N3, 165-192. |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | not reported |