| SpectraBase Compound ID | B04IJNeSixc |
|---|---|
| InChI | InChI=1S/C87H163O10PS2Si5/c1-35-46-74(83(88)87(27,98(89,72-47-41-39-42-48-72)73-49-43-40-44-50-73)60-67(17)55-79(91-29)82(96-102(33,34)86(24,25)26)80(92-30)57-69(19)84-99-53-45-54-100-84)77(93-101(31,32)85(21,22)23)59-76(95-105(64(11)12,65(13)14)66(15)16)70(20)81(97-103(36-2,37-3)38-4)68(18)56-71-51-52-75(78(58-71)90-28)94-104(61(5)6,62(7)8)63(9)10/h35,39-44,47-50,56,61-67,69-71,74-84,88H,1,36-38,45-46,51-55,57-60H2,2-34H3/b68-56+/t67-,69-,70+,71-,74?,75+,76+,77-,78+,79+,80+,81+,82-,83?,87?/m1/s1 |
| InChIKey | AOBXFVUTKIJARA-WFUSLXQSSA-N |
| Mol Weight | 1604.8 g/mol |
| Molecular Formula | C87H163O10PS2Si5 |
| Exact Mass | 1603.027163 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DnpDR0cwqnc |
|---|---|
| Name | AOBXFVUTKIJARA-WFUSLXQSSA-N |
| CAS Registry Number | 126821-24-7 |
| Compound Number | PRECURSOR-OF-#38 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C87H163O10PS2Si5 |
| InChI | InChI=1S/C87H163O10PS2Si5/c1-35-46-74(83(88)87(27,98(89,72-47-41-39-42-48-72)73-49-43-40-44-50-73)60-67(17)55-79(91-29)82(96-102(33,34)86(24,25)26)80(92-30)57-69(19)84-99-53-45-54-100-84)77(93-101(31,32)85(21,22)23)59-76(95-105(64(11)12,65(13)14)66(15)16)70(20)81(97-103(36-2,37-3)38-4)68(18)56-71-51-52-75(78(58-71)90-28)94-104(61(5)6,62(7)8)63(9)10/h35,39-44,47-50,56,61-67,69-71,74-84,88H,1,36-38,45-46,51-55,57-60H2,2-34H3/b68-56+/t67-,69-,70+,71-,74?,75+,76+,77-,78+,79+,80+,81+,82-,83?,87?/m1/s1 |
| InChIKey | AOBXFVUTKIJARA-WFUSLXQSSA-N |
| Literature Reference Author | T.K.JONES,R.A.REAMER,R.DESMOND,S.G.MILLS |
| Literature Reference Citation | J.AM.CHEM.SOC.,112,2998(1990) |
| Literature Reference DOI | 10.1021/ja00164a023 |
| Molecular Weight | 1604.766 g/mol |
| Solvent | CDCl3 |