| SpectraBase Compound ID | 2oPQf4scjLR |
|---|---|
| InChI | InChI=1S/C29H53N5O8/c1-4-5-6-7-8-9-10-11-12-13-21(36)15-26(40)33-22(16-24(30)38)28(41)34-27(23(37)17-25(31)39)29(42)32-20(18-35)14-19(2)3/h18-23,27,36-37H,4-17H2,1-3H3,(H2,30,38)(H2,31,39)(H,32,42)(H,33,40)(H,34,41)/t20?,21-,22+,23?,27+/m1/s1 |
| InChIKey | GTUJBZDZEFIEQV-NIMGTXAASA-N |
| Mol Weight | 599.8 g/mol |
| Molecular Formula | C29H53N5O8 |
| Exact Mass | 599.389414 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CxCGodFUDbA |
|---|---|
| Name | FELLUTAMIDE_D |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H53N5O8 |
| InChI | InChI=1S/C29H53N5O8/c1-4-5-6-7-8-9-10-11-12-13-21(36)15-26(40)33-22(16-24(30)38)28(41)34-27(23(37)17-25(31)39)29(42)32-20(18-35)14-19(2)3/h18-23,27,36-37H,4-17H2,1-3H3,(H2,30,38)(H2,31,39)(H,32,42)(H,33,40)(H,34,41)/t20?,21-,22+,23?,27+/m1/s1 |
| InChIKey | GTUJBZDZEFIEQV-NIMGTXAASA-N |
| Literature Reference Author | D.XU,J.ONDEYKA,G.H.HARRIS,D.ZNIK,J.N.KAHN,H.WANG,G.BILLS,G.P LATAS,W.WANG,A.A.SZE |
| Literature Reference Citation | J.NAT.PROD.,74,1721(2011) |
| Literature Reference DOI | 10.1021/np2001573 |
| Molecular Weight | 599.769 g/mol |
| Sample ID | 39094 |
| Solvent | DMSO-D6:CD3COOD=9:1 |