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DMIPS-ether of prostaglandin D2-methyl ester
SpectraBase Compound ID Kd4PlSAdf38
InChI InChI=1S/C33H62O5Si2/c1-13-14-17-20-26(37-39(9,10)32(2,3)4)23-24-27-28(21-18-15-16-19-22-31(35)36-8)30(25-29(27)34)38-40(11,12)33(5,6)7/h15,18,23-24,26-28,30H,13-14,16-17,19-22,25H2,1-12H3/b18-15-,24-23+/t26-,27?,28-,30+/m0/s1
InChIKey ADCYFDCIHDTSMZ-NFUUENICSA-N
Mol Weight 595.0 g/mol
Molecular Formula C33H62O5Si2
Exact Mass 594.413578 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BxzJRLcxWFh
Name DMIPS-ether of prostaglandin D2-methyl ester
Alternate Name(s) Methyl (5Z,8alpha,9alpha,13E,15S)-9,15-bis{[tert-butyl(dimethyl)silyl]oxy}-11-oxoprosta-5,13-dien-1-oate
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Formula C33H62O5Si2
InChI InChI=1S/C33H62O5Si2/c1-13-14-17-20-26(37-39(9,10)32(2,3)4)23-24-27-28(21-18-15-16-19-22-31(35)36-8)30(25-29(27)34)38-40(11,12)33(5,6)7/h15,18,23-24,26-28,30H,13-14,16-17,19-22,25H2,1-12H3/b18-15-,24-23+/t26-,27?,28-,30+/m0/s1
InChIKey ADCYFDCIHDTSMZ-NFUUENICSA-N
Molecular Weight 595.024 g/mol
SMILES [C@@]1(CC(=O)C([C@@]1(C\C=C/CCCC(=O)OC)[H])\C=C\[C@@](O[Si](C(C)(C)C)(C)C)(CCCCC)[H])(O[Si](C(C)(C)C)(C)C)[H]
SPLASH splash10-0kmi-0010390000-25f86198e308c29cf3b7
Source of Spectrum M-34-81-0
Wiley ID 1409647