| SpectraBase Compound ID | HM47RuftASR |
|---|---|
| InChI | InChI=1S/C45H87N15O17/c46-11-1-6-22(47)16-28(62)56-12-2-7-23(48)17-29(63)57-13-3-8-24(49)18-30(64)58-14-4-9-25(50)19-31(65)59-15-5-10-26(51)20-32(66)74-40-39(76-44(54)71)37(70)36(69)38(41(40)77-45(55)72)75-42-35(68)33(60-43(52)53)34(67)27(21-61)73-42/h22-27,33-42,61,67-70H,1-21,46-51H2,(H2,54,71)(H2,55,72)(H,56,62)(H,57,63)(H,58,64)(H,59,65)(H4,52,53,60)/t22?,23?,24?,25?,26?,27-,33+,34-,35+,36-,37-,38+,39+,40+,41-,42-/m1/s1 |
| InChIKey | ZQANLBKWPHEWEI-ZXAFEJJHSA-N |
| Mol Weight | 1110.3 g/mol |
| Molecular Formula | C45H87N15O17 |
| Exact Mass | 1109.640436 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 10jAHfNh7ln |
|---|---|
| Name | LL-BM-782-ALPHA-1A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H87N15O17 |
| InChI | InChI=1S/C45H87N15O17/c46-11-1-6-22(47)16-28(62)56-12-2-7-23(48)17-29(63)57-13-3-8-24(49)18-30(64)58-14-4-9-25(50)19-31(65)59-15-5-10-26(51)20-32(66)74-40-39(76-44(54)71)37(70)36(69)38(41(40)77-45(55)72)75-42-35(68)33(60-43(52)53)34(67)27(21-61)73-42/h22-27,33-42,61,67-70H,1-21,46-51H2,(H2,54,71)(H2,55,72)(H,56,62)(H,57,63)(H,58,64)(H,59,65)(H4,52,53,60)/t22?,23?,24?,25?,26?,27-,33+,34-,35+,36-,37-,38+,39+,40+,41-,42-/m1/s1 |
| InChIKey | ZQANLBKWPHEWEI-ZXAFEJJHSA-N |
| Literature Reference Author | W.MCGAHREN,B.HARDY,G.MORTON,F.LOVELL,N.PERKINSON,R.HARGREAVE S,D.BORDERS |
| Literature Reference Citation | J.ORG.CHEM.,46,792(1981) |
| Literature Reference DOI | 10.1021/jo00317a029 |
| Molecular Weight | 1110.276 g/mol |
| Solvent | D2O |
| Source File Reference | UNIW20200 |