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Prost-13-en-1-oic acid, 11,15-dihydroxy-7,9-dioxo-, methyl ester, (8.beta.,11.beta.,12.alpha.,13E,15S)-
SpectraBase Compound ID JPPQSHhUUuJ
InChI InChI=1S/C21H34O6/c1-3-4-6-9-15(22)12-13-16-18(24)14-19(25)21(16)17(23)10-7-5-8-11-20(26)27-2/h12-13,15-16,18,21-22,24H,3-11,14H2,1-2H3/b13-12+/t15-,16+,18-,21+/m0/s1
InChIKey KPAFZSDNDXZKLB-HXODMZJSSA-N
Mol Weight 382.5 g/mol
Molecular Formula C21H34O6
Exact Mass 382.235539 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ASe7nKHD5Zi
Name Prost-13-en-1-oic acid, 11,15-dihydroxy-7,9-dioxo-, methyl ester, (8.beta.,11.beta.,12.alpha.,13E,15S)-
Alternate Name(s) 7-Oxoprostaglandine 1 methylester Methyl (8alpha,11alpha,12beta,13E,15S)-11,15-dihydroxy-7,9-dioxoprost-13-en-1-oate
CAS Registry Number 64937-48-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H34O6
InChI InChI=1S/C21H34O6/c1-3-4-6-9-15(22)12-13-16-18(24)14-19(25)21(16)17(23)10-7-5-8-11-20(26)27-2/h12-13,15-16,18,21-22,24H,3-11,14H2,1-2H3/b13-12+/t15-,16+,18-,21+/m0/s1
InChIKey KPAFZSDNDXZKLB-HXODMZJSSA-N
Molecular Weight 382.497 g/mol
SMILES O[C@](\C=C\[C@]1([C@@](C(C[C@@]1(O)[H])=O)(C(=O)CCCCCC(=O)OC)[H])[H])(CCCCC)[H]
SPLASH splash10-0bta-0029000000-d27cf5097cdbeeb32c63
Source of Spectrum F-33-1110-0
Wiley ID 1360568