| SpectraBase Compound ID | B1VfTQTW316 |
|---|---|
| InChI | InChI=1S/C52H98O5Si3/c1-23-26-29-30-32-34-42(5)39-45(38-41(4)33-28-25-3)54-49(53)44(7)48(57-60(21,22)52(14,15)16)40-43(6)36-37-47(56-59(19,20)51(11,12)13)46(35-31-27-24-2)55-58(17,18)50(8,9)10/h32,34,39,41,43-48H,23,26,29-31,33,35-38,40H2,1-22H3/b34-32+,42-39+/t41-,43+,44-,45+,46+,47+,48-/m1/s1 |
| InChIKey | DIMVKLGSFBLHHB-UTNKQSNBSA-N |
| Mol Weight | 887.6 g/mol |
| Molecular Formula | C52H98O5Si3 |
| Exact Mass | 886.672206 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BHPPz9CuzaA |
|---|---|
| Name | (5R,7S,8E,10E)-5,9-dimethylhexadeca-8,10-dien-2-yn-7-yl (2R,3R,5S,8S,9S)-3,8,9-tris((tert-butyldimethylsilyl)oxy)-2,5-dimethyltetradec-12-ynoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C52H98O5Si3 |
| InChI | InChI=1S/C52H98O5Si3/c1-23-26-29-30-32-34-42(5)39-45(38-41(4)33-28-25-3)54-49(53)44(7)48(57-60(21,22)52(14,15)16)40-43(6)36-37-47(56-59(19,20)51(11,12)13)46(35-31-27-24-2)55-58(17,18)50(8,9)10/h32,34,39,41,43-48H,23,26,29-31,33,35-38,40H2,1-22H3/b34-32+,42-39+/t41-,43+,44-,45+,46+,47+,48-/m1/s1 |
| InChIKey | DIMVKLGSFBLHHB-UTNKQSNBSA-N |
| Molecular Weight | 887.606 g/mol |
| SMILES | [C@@](C[C@](CC[C@](O[Si](C(C)(C)C)(C)C)([C@](CCC#CC)(O[Si](C(C)(C)C)(C)C)[H])[H])(C)[H])(O[Si](C(C)(C)C)(C)C)([C@@](C)(C(O[C@](\C=C\(\C=C\CCCCC)C)(C[C@](C)(CC#CC)[H])[H])=O)[H])[H] |
| SPLASH | splash10-0002-1490000000-6c10f35151b1d4d0d320 |
| Source of Spectrum | ACI-50-SMS15-32 |
| Wiley ID | 1780159 |