| SpectraBase Compound ID | KV6CZHWDBXi |
|---|---|
| InChI | InChI=1S/C36H53N5O6S/c1-23(2)20-29(35(44)40(8)32(24(3)4)36(45)41-18-11-12-28(41)33-37-17-19-48-33)39(7)34(43)30(38(6)31(42)21-25(5)46-9)22-26-13-15-27(47-10)16-14-26/h13-17,19,21,23-24,28-30,32H,11-12,18,20,22H2,1-10H3/b25-21+/t28-,29-,30-,32-/m0/s1 |
| InChIKey | VAZIRJJDQHGFJU-YMGIVACDSA-N |
| Mol Weight | 683.9 g/mol |
| Molecular Formula | C36H53N5O6S |
| Exact Mass | 683.371656 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HcvAxBfn2gM |
|---|---|
| Name | LYNGBYAPEPTIN_D |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H53N5O6S |
| InChI | InChI=1S/C36H53N5O6S/c1-23(2)20-29(35(44)40(8)32(24(3)4)36(45)41-18-11-12-28(41)33-37-17-19-48-33)39(7)34(43)30(38(6)31(42)21-25(5)46-9)22-26-13-15-27(47-10)16-14-26/h13-17,19,21,23-24,28-30,32H,11-12,18,20,22H2,1-10H3/b25-21+/t28-,29-,30-,32-/m0/s1 |
| InChIKey | VAZIRJJDQHGFJU-YMGIVACDSA-N |
| Literature Reference Author | S.MATTHEW,L.A.SALVADOR,P.J.SCHUPP,V.J.PAUL,H.LUESCH |
| Literature Reference Citation | J.NAT.PROD.,73,1544(2010) |
| Literature Reference DOI | 10.1021/np1004032 |
| Molecular Weight | 683.907 g/mol |
| Sample ID | 36357 |
| Solvent | CDCl3 |