| SpectraBase Compound ID | 8VRQGLVgM76 |
|---|---|
| InChI | InChI=1S/C54H64O32S2/c1-20(55)69-18-35-41(77-24(5)59)43(79-26(7)61)45(80-27(8)62)51(82-35)86-50-38-30(15-74-54(68)88-11)13-34(76-23(4)58)40(38)32(17-72-50)48(66)84-44-42(78-25(6)60)36(19-70-21(2)56)83-52(46(44)81-28(9)63)85-49-37-29(14-73-53(67)87-10)12-33(75-22(3)57)39(37)31(16-71-49)47(64)65/h12-13,16-17,33-46,49-52H,14-15,18-19H2,1-11H3,(H,64,65)/t33-,34+,35+,36-,37+,38-,39-,40+,41+,42-,43-,44+,45+,46-,49-,50+,51-,52+/m0/s1 |
| InChIKey | LHZXVCQPMOEFLN-HCQVYGQXSA-N |
| Mol Weight | 1289.2 g/mol |
| Molecular Formula | C54H64O32S2 |
| Exact Mass | 1288.282212 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AvPqeVl2MXh |
|---|---|
| Name | LHZXVCQPMOEFLN-HCQVYGQXSA-N |
| Compound Number | 15 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H64O32S2 |
| InChI | InChI=1S/C54H64O32S2/c1-20(55)69-18-35-41(77-24(5)59)43(79-26(7)61)45(80-27(8)62)51(82-35)86-50-38-30(15-74-54(68)88-11)13-34(76-23(4)58)40(38)32(17-72-50)48(66)84-44-42(78-25(6)60)36(19-70-21(2)56)83-52(46(44)81-28(9)63)85-49-37-29(14-73-53(67)87-10)12-33(75-22(3)57)39(37)31(16-71-49)47(64)65/h12-13,16-17,33-46,49-52H,14-15,18-19H2,1-11H3,(H,64,65)/t33-,34+,35+,36-,37+,38-,39-,40+,41+,42-,43-,44+,45+,46-,49-,50+,51-,52+/m0/s1 |
| InChIKey | LHZXVCQPMOEFLN-HCQVYGQXSA-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 | 1289.203 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS1709 |