| SpectraBase Compound ID | 9gVEcllbutp |
|---|---|
| InChI | InChI=1S/C58H106N2O21/c1-5-7-8-9-10-11-12-13-14-15-16-17-22-25-28-31-44(65)59-39(40(62)30-27-24-21-19-18-20-23-26-29-37(3)6-2)34-76-56-53(73)51(71)49(69)43(80-56)35-78-58(57(74)75)32-41(63)46(54(81-58)48(68)42(64)33-61)60-45(66)36-77-55-52(72)50(70)47(67)38(4)79-55/h27,30,37-43,46-56,61-64,67-73H,5-26,28-29,31-36H2,1-4H3,(H,59,65)(H,60,66)(H,74,75)/b30-27+/t37?,38-,39-,40+,41-,42?,43+,46+,47+,48?,49+,50+,51-,52-,53+,54+,55+,56+,58+/m0/s1 |
| InChIKey | YYNQBVHBJJFROY-VNSAZKQLSA-N |
| Mol Weight | 1167.5 g/mol |
| Molecular Formula | C58H106N2O21 |
| Exact Mass | 1166.728808 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hx0delhQfOt |
|---|---|
| Name | YYNQBVHBJJFROY-VNSAZKQLSA-N |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C58H106N2O21 |
| InChI | InChI=1S/C58H106N2O21/c1-5-7-8-9-10-11-12-13-14-15-16-17-22-25-28-31-44(65)59-39(40(62)30-27-24-21-19-18-20-23-26-29-37(3)6-2)34-76-56-53(73)51(71)49(69)43(80-56)35-78-58(57(74)75)32-41(63)46(54(81-58)48(68)42(64)33-61)60-45(66)36-77-55-52(72)50(70)47(67)38(4)79-55/h27,30,37-43,46-56,61-64,67-73H,5-26,28-29,31-36H2,1-4H3,(H,59,65)(H,60,66)(H,74,75)/b30-27+/t37?,38-,39-,40+,41-,42?,43+,46+,47+,48?,49+,50+,51-,52-,53+,54+,55+,56+,58+/m0/s1 |
| InChIKey | YYNQBVHBJJFROY-VNSAZKQLSA-N |
| Literature Reference Author | F.KISA,K.YAMADA,T.MIYAMOTO,M.INAGAKI,R.HIGUCHI |
| Literature Reference Citation | CHEM.PHARM.BULL.,54,982(2006) |
| Literature Reference DOI | 10.1248/cpb.54.982 |
| Molecular Weight | 1167.480 g/mol |
| Sample ID | 37183 |
| Solvent | C5D5N:D2O=4:1 |