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1,20-dimethyl 9a,11a-dihydroxy-15-methyloxime-2,3,4,5,20-pentanor-19-carboxyprostanoate n-butylboronate ester
SpectraBase Compound ID p3kW59hMWt
InChI InChI=1S/C23H40BNO7/c1-5-6-15-24-31-20-16-21(32-24)19(13-14-23(27)29-3)18(20)12-11-17(25-30-4)9-7-8-10-22(26)28-2/h18-21H,5-16H2,1-4H3/b25-17+/t18-,19-,20?,21?/m1/s1
InChIKey HPLRLPWRDSDBMP-SZGHOSEFSA-N
Mol Weight 453.4 g/mol
Molecular Formula C23H40BNO7
Exact Mass 453.289783 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EIReyBC08sB
Name 1,20-dimethyl 9a,11a-dihydroxy-15-methyloxime-2,3,4,5,20-pentanor-19-carboxyprostanoate n-butylboronate ester
Alternate Name(s) 8-[(6R,7R)-3-Butyl-7-(2-methoxycarbonyl-ethyl)-2,4-dioxa-3-bora-bicyclo[3.2.1]oct-6-yl]-6-[(E)-methoxyimino]-octanoic acid methyl ester Methyl (6E)-8-[(6R,7R)-3-butyl-7-(3-methoxy-3-oxopropyl)-2,4-dioxa-3-borabicyclo[3.2.1]oct-6-yl]-6-(methoxyimino)octanoate
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Formula C23H40BNO7
InChI InChI=1S/C23H40BNO7/c1-5-6-15-24-31-20-16-21(32-24)19(13-14-23(27)29-3)18(20)12-11-17(25-30-4)9-7-8-10-22(26)28-2/h18-21H,5-16H2,1-4H3/b25-17+/t18-,19-,20?,21?/m1/s1
InChIKey HPLRLPWRDSDBMP-SZGHOSEFSA-N
Molecular Weight 453.383 g/mol
SMILES C12OB(OC([C@@]([C@]2(CCC(=O)OC)[H])(CC\C(=N\OC)CCCCC(=O)OC)[H])C1)CCCC
SPLASH splash10-000i-5749000000-d665850d543cf192d1b0
Source of Spectrum O-29-360-0
Wiley ID 1388490