| SpectraBase Compound ID | HfvaozNwIsm |
|---|---|
| InChI | InChI=1S/C42H54O4S/c1-23(43)41-35(45-41)21-33-29-9-7-25-19-27(11-15-37(25,3)31(29)13-17-39(33,41)5)47-28-12-16-38(4)26(20-28)8-10-30-32(38)14-18-40(6)34(30)22-36-42(40,46-36)24(2)44/h7-8,19-20,29-36H,9-18,21-22H2,1-6H3/t29-,30-,31+,32+,33+,34+,35-,36-,37+,38+,39+,40+,41-,42-/m1/s1 |
| InChIKey | LHMWXXAWIJLSBF-KBEIDQLDSA-N |
| Mol Weight | 655.0 g/mol |
| Molecular Formula | C42H54O4S |
| Exact Mass | 654.374281 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GYpXvnl7QeH |
|---|---|
| Name | LHMWXXAWIJLSBF-KBEIDQLDSA-N |
| Compound Number | 2E |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H54O4S |
| InChI | InChI=1S/C42H54O4S/c1-23(43)41-35(45-41)21-33-29-9-7-25-19-27(11-15-37(25,3)31(29)13-17-39(33,41)5)47-28-12-16-38(4)26(20-28)8-10-30-32(38)14-18-40(6)34(30)22-36-42(40,46-36)24(2)44/h7-8,19-20,29-36H,9-18,21-22H2,1-6H3/t29-,30-,31+,32+,33+,34+,35-,36-,37+,38+,39+,40+,41-,42-/m1/s1 |
| InChIKey | LHMWXXAWIJLSBF-KBEIDQLDSA-N |
| Literature Reference Author | N.M.KRSTIC,M.S.BJELAKOVIC,M.M.DABOVIC,V.D.PAVLOVIC |
| Literature Reference Citation | MOLECULES,15,3462(2010) |
| Literature Reference DOI | 10.3390/molecules15053462 |
| Molecular Weight | 654.948 g/mol |
| Sample ID | 70917 |
| Solvent | CDCl3 |