| SpectraBase Compound ID | H3mduWyIE6S |
|---|---|
| InChI | InChI=1S/C50H79NO22/c1-19-11-27(56)33(51-14-19)20(2)32-26(55)13-25-23-6-5-21-12-22(7-9-49(21,3)24(23)8-10-50(25,32)4)67-46-41(65)38(62)42(31(17-54)70-46)71-48-44(73-47-40(64)37(61)35(59)29(15-52)68-47)43(36(60)30(16-53)69-48)72-45-39(63)34(58)28(57)18-66-45/h11,14,20-26,28-32,34-48,52-65H,5-10,12-13,15-18H2,1-4H3/t20-,21-,22-,23+,24-,25-,26-,28+,29-,30-,31+,32-,34-,35-,36-,37+,38+,39+,40-,41+,42-,43+,44-,45-,46+,47+,48+,49-,50-/m0/s1 |
| InChIKey | UVCVNEZGCLNQGI-AKWGQMELSA-N |
| Mol Weight | 1046.2 g/mol |
| Molecular Formula | C50H79NO22 |
| Exact Mass | 1045.509373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GQ25imcyVca |
|---|---|
| Name | UVCVNEZGCLNQGI-AKWGQMELSA-N |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H79NO22 |
| InChI | InChI=1S/C50H79NO22/c1-19-11-27(56)33(51-14-19)20(2)32-26(55)13-25-23-6-5-21-12-22(7-9-49(21,3)24(23)8-10-50(25,32)4)67-46-41(65)38(62)42(31(17-54)70-46)71-48-44(73-47-40(64)37(61)35(59)29(15-52)68-47)43(36(60)30(16-53)69-48)72-45-39(63)34(58)28(57)18-66-45/h11,14,20-26,28-32,34-48,52-65H,5-10,12-13,15-18H2,1-4H3/t20-,21-,22-,23+,24-,25-,26-,28+,29-,30-,31+,32-,34-,35-,36-,37+,38+,39+,40-,41+,42-,43+,44-,45-,46+,47+,48+,49-,50-/m0/s1 |
| InChIKey | UVCVNEZGCLNQGI-AKWGQMELSA-N |
| Literature Reference Author | T.NOHARA,H.MANABE,Y.FUJIWARA,T.IKEDA,M.ONO,K.MURAKAMI,D.NAKA NO,J.KINJO |
| Literature Reference Citation | CHEM.PHARM.BULL.,62,483(2014) |
| Literature Reference DOI | 10.1248/cpb.c14-00004 |
| Molecular Weight | 1046.171 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWBT13892 |