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2,4-Dioxa-3-borabicyclo[3.2.1]octane, prosta-5,13-dien-1-oic acid deriv.
SpectraBase Compound ID Je9LgWmPANL
InChI InChI=1S/C25H45BO5Si/c1-7-8-11-14-20(31-32(4,5)6)17-18-22-21(23-19-24(22)30-26(2)29-23)15-12-9-10-13-16-25(27)28-3/h9,12,17-18,20-24H,7-8,10-11,13-16,19H2,1-6H3/b12-9-,18-17+/t20-,21+,22+,23+,24-/m0/s1
InChIKey WTBAHAXAHJBDTL-LWSOHHPWSA-N
Mol Weight 464.5 g/mol
Molecular Formula C25H45BO5Si
Exact Mass 464.312931 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1psfx0RtOd6
Name 2,4-Dioxa-3-borabicyclo[3.2.1]octane, prosta-5,13-dien-1-oic acid deriv.
CAS Registry Number 65963-06-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H45BO5Si
InChI InChI=1S/C25H45BO5Si/c1-7-8-11-14-20(31-32(4,5)6)17-18-22-21(23-19-24(22)30-26(2)29-23)15-12-9-10-13-16-25(27)28-3/h9,12,17-18,20-24H,7-8,10-11,13-16,19H2,1-6H3/b12-9-,18-17+/t20-,21+,22+,23+,24-/m0/s1
InChIKey WTBAHAXAHJBDTL-LWSOHHPWSA-N
Molecular Weight 464.525 g/mol
SMILES [C@]12(OB(O[C@]([C@@]([C@]2(C\C=C/CCCC(=O)OC)[H])(\C=C\[C@@](O[Si](C)(C)C)(CCCCC)[H])[H])(C1)[H])C)[H]
SPLASH splash10-0006-0389000000-036943f1e0143b7744ac
Source of Spectrum KO-4-261-1
Synonyms Prosta-5,13-dien-1-oic acid, 9,11-[(methylborylene)bis(oxy)]-15-[(trimethylsilyl)oxy]-, methyl ester, (5Z,9.alpha.,11.alpha.,13E,15S)- Methyl (5Z)-7-((1S,5R,6R,7R)-3-methyl-7-{(1E,3S)-3-[(trimethylsilyl)oxy]-1-octenyl}-2,4-dioxa-3-borabicyclo[3.2.1]oct-6-yl)-5-heptenoate Methyl ester 9.11-methaneboronate TMS ether deriative of prostaglandin F2 .alpha.
Wiley ID 1391486