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1,20-diethyl 9a,11a-dihydroxy-15-oxo-2,3,4,5,20-pentanor-19-carboxyprostanoate n-butylboronate ester
SpectraBase Compound ID BLCP6MZPoRL
InChI InChI=1S/C24H41BO7/c1-4-7-16-25-31-21-17-22(32-25)20(14-15-24(28)30-6-3)19(21)13-12-18(26)10-8-9-11-23(27)29-5-2/h19-22H,4-17H2,1-3H3/t19-,20-,21-,22+/m1/s1
InChIKey GDRZEKDFWHHINA-YSFYHYPLSA-N
Mol Weight 452.4 g/mol
Molecular Formula C24H41BO7
Exact Mass 452.294534 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E5ICelHcN8w
Name 1,20-diethyl 9a,11a-dihydroxy-15-oxo-2,3,4,5,20-pentanor-19-carboxyprostanoate n-butylboronate ester
Alternate Name(s) 1,20-diethyl 9a,11a-dihydroxy-15-oxo-2,3,4,5-tetranor-19-carboxyprostanoate n-butylboronate ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H41BO7
InChI InChI=1S/C24H41BO7/c1-4-7-16-25-31-21-17-22(32-25)20(14-15-24(28)30-6-3)19(21)13-12-18(26)10-8-9-11-23(27)29-5-2/h19-22H,4-17H2,1-3H3/t19-,20-,21-,22+/m1/s1
InChIKey GDRZEKDFWHHINA-YSFYHYPLSA-N
Molecular Weight 452.395 g/mol
SMILES [C@]12(OB(O[C@]([C@@]([C@]2(CCC(=O)CCCCC(=O)OCC)[H])(CCC(=O)OCC)[H])(C1)[H])CCCC)[H]
SPLASH splash10-03e9-3900000000-2f25035607c960c14594
Source of Spectrum O-29-364-6
Wiley ID 1388252