| SpectraBase Compound ID | 2Qsprnw1ZxE |
|---|---|
| InChI | InChI=1S/C66H99N5O31/c1-52(2)78-22-27(88-52)32-62(67,37-42(83-32)98-57(11,12)93-37)47(72)68-63(33(28-23-79-53(3,4)89-28)84-43-38(63)94-58(13,14)99-43)48(73)69-64(34(29-24-80-54(5,6)90-29)85-44-39(64)95-59(15,16)100-44)49(74)70-65(35(30-25-81-55(7,8)91-30)86-45-40(65)96-60(17,18)101-45)50(75)71-66(51(76)77-21)36(31-26-82-56(9,10)92-31)87-46-41(66)97-61(19,20)102-46/h27-46H,22-26,67H2,1-21H3,(H,68,72)(H,69,73)(H,70,74)(H,71,75)/t27-,28?,29?,30?,31?,32?,33-,34-,35-,36-,37-,38+,39+,40+,41+,42+,43-,44-,45-,46-,62-,63+,64+,65+,66+/m0/s1 |
| InChIKey | YQVJFMOPERJWPY-NAUWYXBZSA-N |
| Mol Weight | 1458.5 g/mol |
| Molecular Formula | C66H99N5O31 |
| Exact Mass | 1457.632401 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2zQgprVVABm |
|---|---|
| Name | YQVJFMOPERJWPY-NAUWYXBZSA-N |
| Compound Number | 23 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C66H99N5O31 |
| InChI | InChI=1S/C66H99N5O31/c1-52(2)78-22-27(88-52)32-62(67,37-42(83-32)98-57(11,12)93-37)47(72)68-63(33(28-23-79-53(3,4)89-28)84-43-38(63)94-58(13,14)99-43)48(73)69-64(34(29-24-80-54(5,6)90-29)85-44-39(64)95-59(15,16)100-44)49(74)70-65(35(30-25-81-55(7,8)91-30)86-45-40(65)96-60(17,18)101-45)50(75)71-66(51(76)77-21)36(31-26-82-56(9,10)92-31)87-46-41(66)97-61(19,20)102-46/h27-46H,22-26,67H2,1-21H3,(H,68,72)(H,69,73)(H,70,74)(H,71,75)/t27-,28?,29?,30?,31?,32?,33-,34-,35-,36-,37-,38+,39+,40+,41+,42+,43-,44-,45-,46-,62-,63+,64+,65+,66+/m0/s1 |
| InChIKey | YQVJFMOPERJWPY-NAUWYXBZSA-N |
| Literature Reference Author | A.SCAFFIDI,B.W.SKELTON,R.V.STICK,A.H.WHITE |
| Literature Reference Citation | AUSTR.J.CHEM.,57,733(2004) |
| Literature Reference DOI | 10.1071/CH04014 |
| Molecular Weight | 1458.527 g/mol |
| Solvent | Unknown |
| Source File Reference | UWVN20017 |