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Prost-13-en-1-oic acid, 19-hydroxy-9-oxo-, methyl ester, (13E,19R)-
SpectraBase Compound ID 34J8JBKVRp6
InChI InChI=1S/C21H36O4/c1-17(22)11-7-3-4-8-12-18-15-16-20(23)19(18)13-9-5-6-10-14-21(24)25-2/h8,12,17-19,22H,3-7,9-11,13-16H2,1-2H3/b12-8+/t17-,18+,19-/m1/s1
InChIKey BHJHGBLXRBIYEW-KRABFRDWSA-N
Mol Weight 352.5 g/mol
Molecular Formula C21H36O4
Exact Mass 352.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C0r0D2ixETb
Name Prost-13-en-1-oic acid, 19-hydroxy-9-oxo-, methyl ester, (13E,19R)-
Alternate Name(s) 2-(6'-Carbomethoxyhexyl)-3-(e-1''-octen-7''-olyl)-cyclopentanone Methyl (13E,19R)-19-hydroxy-9-oxoprost-13-en-1-oate
CAS Registry Number 128525-32-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H36O4
InChI InChI=1S/C21H36O4/c1-17(22)11-7-3-4-8-12-18-15-16-20(23)19(18)13-9-5-6-10-14-21(24)25-2/h8,12,17-19,22H,3-7,9-11,13-16H2,1-2H3/b12-8+/t17-,18+,19-/m1/s1
InChIKey BHJHGBLXRBIYEW-KRABFRDWSA-N
Molecular Weight 352.515 g/mol
SMILES O[C@@](CCCC\C=C\[C@@]1([C@](C(CC1)=O)(CCCCCCC(=O)OC)[H])[H])(C)[H]
SPLASH splash10-0a4i-9000000000-c9b96e044b0e4fc46f06
Source of Spectrum I-68-290-21
Wiley ID 1343522