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Methyl 7-tert-Butoxycarbonyl-6,9-epoxy-11-hydroxy-15-oxo-6,13-prostadienoate
SpectraBase Compound ID FkuuD0hNkWq
InChI InChI=1S/C26H40O7/c1-6-7-8-11-17(27)14-15-18-19(28)16-21-23(18)24(25(30)33-26(2,3)4)20(32-21)12-9-10-13-22(29)31-5/h14-15,18-19,21,23,28H,6-13,16H2,1-5H3/b15-14+/t18-,19+,21-,23+/m0/s1
InChIKey NTMMMCNSXZDFAH-BUFDTTHOSA-N
Mol Weight 464.6 g/mol
Molecular Formula C26H40O7
Exact Mass 464.277404 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9H2nCoxaaN4
Name Methyl 7-tert-Butoxycarbonyl-6,9-epoxy-11-hydroxy-15-oxo-6,13-prostadienoate
Alternate Name(s) tert-Butyl (3aS,4R,5R,6aS)-5-hydroxy-2-(5-methoxy-5-oxopentyl)-4-[(1E)-3-oxo-1-octenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-3-carboxylate
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Formula C26H40O7
InChI InChI=1S/C26H40O7/c1-6-7-8-11-17(27)14-15-18-19(28)16-21-23(18)24(25(30)33-26(2,3)4)20(32-21)12-9-10-13-22(29)31-5/h14-15,18-19,21,23,28H,6-13,16H2,1-5H3/b15-14+/t18-,19+,21-,23+/m0/s1
InChIKey NTMMMCNSXZDFAH-BUFDTTHOSA-N
Molecular Weight 464.599 g/mol
SMILES O[C@]1([C@@]([C@]2(C(=C(O[C@]2(C1)[H])CCCCC(=O)OC)C(OC(C)(C)C)=O)[H])(\C=C\C(=O)CCCCC)[H])[H]
SPLASH splash10-00bc-1916000000-f59f00bab65efffb824d
Source of Spectrum SO-0-162-11
Wiley ID 1543903