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Tris(trimethylsilyl),methylester derivative of 3,3,4,4-[2H4]-prostaglandin F2.alpha. (with H/D exchange products)
SpectraBase Compound ID DEMSNIXglzp
InChI InChI=1S/C30H60O5Si3/c1-12-13-16-19-25(33-36(3,4)5)22-23-27-26(20-17-14-15-18-21-30(31)32-2)28(34-37(6,7)8)24-29(27)35-38(9,10)11/h14,17,22-23,25-29H,12-13,15-16,18-21,24H2,1-11H3/b17-14-,23-22+/t25-,26+,27+,28?,29?/m0/s1/i15D2,18D2
InChIKey YVLDQBBNCMCSBI-RFRIVWDHSA-N
Mol Weight 589.1 g/mol
Molecular Formula C30H562D4O5Si3
Exact Mass 588.399962 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ISLeS7gh4uK
Name Tris(trimethylsilyl),methylester derivative of 3,3,4,4-[2H4]-prostaglandin F2.alpha. (with H/D exchange products)
Alternate Name(s) Tris(trimethylsilyl),methylester derivative of 3,3,4,4-[2H4]-prostaglandin F2.alpha.
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H56D4O5Si3
InChI InChI=1S/C30H60O5Si3/c1-12-13-16-19-25(33-36(3,4)5)22-23-27-26(20-17-14-15-18-21-30(31)32-2)28(34-37(6,7)8)24-29(27)35-38(9,10)11/h14,17,22-23,25-29H,12-13,15-16,18-21,24H2,1-11H3/b17-14-,23-22+/t25-,26+,27+,28?,29?/m0/s1/i15D2,18D2
InChIKey YVLDQBBNCMCSBI-RFRIVWDHSA-N
Molecular Weight 589.084 g/mol
SMILES C1([C@](\C=C\[C@@](O[Si](C)(C)C)(CCCCC)[H])([C@@](C\C=C/C(C(CC(=O)OC)([2D])[2D])([2D])[2D])(C(C1)O[Si](C)(C)C)[H])[H])O[Si](C)(C)C
SPLASH splash10-056r-0000900000-9c1a515926894eb3b672
Source of Spectrum BM-1978-69-4
Wiley ID 1408835