| SpectraBase Compound ID | HG6BYebYVLd |
|---|---|
| InChI | InChI=1S/C36H54O5S/c1-24-10-14-31-33(3,4)17-8-19-35(31,6)28(24)16-21-34(5)18-9-20-36(7)29(25(2)11-15-32(34)36)23-26-22-27(12-13-30(26)37)41-42(38,39)40/h11-13,22,28-29,31-32,37H,1,8-10,14-21,23H2,2-7H3,(H,38,39,40)/t28-,29-,31-,32-,34+,35+,36+/m1/s1 |
| InChIKey | WCPBWRPAPQZHRS-HZGHSUAOSA-N |
| Mol Weight | 598.9 g/mol |
| Molecular Formula | C36H54O5S |
| Exact Mass | 598.369196 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 36mvTg3nhd7 |
|---|---|
| Name | ADOCIASULFATE_11 |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H54O5S |
| InChI | InChI=1S/C36H54O5S/c1-24-10-14-31-33(3,4)17-8-19-35(31,6)28(24)16-21-34(5)18-9-20-36(7)29(25(2)11-15-32(34)36)23-26-22-27(12-13-30(26)37)41-42(38,39)40/h11-13,22,28-29,31-32,37H,1,8-10,14-21,23H2,2-7H3,(H,38,39,40)/t28-,29-,31-,32-,34+,35+,36+/m1/s1 |
| InChIKey | WCPBWRPAPQZHRS-HZGHSUAOSA-N |
| Literature Reference Author | L.M.WEST,D.J.FAULKNER |
| Literature Reference Citation | J.NAT.PROD.,69,1001(2006) |
| Literature Reference DOI | 10.1021/np050459c |
| Molecular Weight | 598.882 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ18940 |