| SpectraBase Compound ID | BuNF50D7Tao |
|---|---|
| InChI | InChI=1S/C52H60O30S2/c1-19(53)65-17-33-39(72-22(4)56)41(74-24(6)58)43(76-26(8)60)49(78-33)81-47-35-27(13-69-51(63)83-9)11-31(71-21(3)55)37(35)30(16-68-47)46(62)80-44-42(75-25(7)59)40(73-23(5)57)34(18-66-20(2)54)79-50(44)82-48-36-28(14-70-52(64)84-10)12-32-38(36)29(15-67-48)45(61)77-32/h11-12,15-16,31-44,47-50H,13-14,17-18H2,1-10H3/t31-,32+,33-,34+,35+,36-,37-,38+,39-,40+,41+,42-,43-,44+,47-,48+,49+,50-/m1/s1 |
| InChIKey | TUYGKCBPTLXSAI-BUXYHVSISA-N |
| Mol Weight | 1229.1 g/mol |
| Molecular Formula | C52H60O30S2 |
| Exact Mass | 1228.261083 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9cFEzb639lJ |
|---|---|
| Name | TUYGKCBPTLXSAI-BUXYHVSISA-N |
| Compound Number | 13 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H60O30S2 |
| InChI | InChI=1S/C52H60O30S2/c1-19(53)65-17-33-39(72-22(4)56)41(74-24(6)58)43(76-26(8)60)49(78-33)81-47-35-27(13-69-51(63)83-9)11-31(71-21(3)55)37(35)30(16-68-47)46(62)80-44-42(75-25(7)59)40(73-23(5)57)34(18-66-20(2)54)79-50(44)82-48-36-28(14-70-52(64)84-10)12-32-38(36)29(15-67-48)45(61)77-32/h11-12,15-16,31-44,47-50H,13-14,17-18H2,1-10H3/t31-,32+,33-,34+,35+,36-,37-,38+,39-,40+,41+,42-,43-,44+,47-,48+,49+,50-/m1/s1 |
| InChIKey | TUYGKCBPTLXSAI-BUXYHVSISA-N |
| Literature Reference Author | D.N.QUANG,T.HASHIMOTO,M.TANAKA,N.X.DUNG,Y.ASAKAWA |
| Literature Reference Citation | PHYTOCHEM.,60,505(2002) |
| Literature Reference DOI | 10.1016/S0031-9422(02)00096-1 |
| Molecular Weight | 1229.150 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS1708 |