| SpectraBase Compound ID | 9kYcMB4YjLI |
|---|---|
| InChI | InChI=1S/C42H53NO15/c1-8-42(51)17-26(31-32(35(42)41(50)52-7)39(49)33-34(38(31)48)37(47)30-21(36(33)46)10-9-11-24(30)45)57-29-16-22(43(5)6)40(20(4)55-29)58-28-15-13-25(19(3)54-28)56-27-14-12-23(44)18(2)53-27/h9-11,18-20,22,25-29,35,40,45,48-49,51H,8,12-17H2,1-7H3/t18-,19-,20+,22+,25-,26-,27-,28-,29+,35-,40-,42-/m0/s1 |
| InChIKey | GSCMQULDSZTLKO-SQHCRENESA-N |
| Mol Weight | 811.9 g/mol |
| Molecular Formula | C42H53NO15 |
| Exact Mass | 811.34152 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CCwUG7AcdAy |
|---|---|
| Name | EPELMYCIN-A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H53NO15 |
| InChI | InChI=1S/C42H53NO15/c1-8-42(51)17-26(31-32(35(42)41(50)52-7)39(49)33-34(38(31)48)37(47)30-21(36(33)46)10-9-11-24(30)45)57-29-16-22(43(5)6)40(20(4)55-29)58-28-15-13-25(19(3)54-28)56-27-14-12-23(44)18(2)53-27/h9-11,18-20,22,25-29,35,40,45,48-49,51H,8,12-17H2,1-7H3/t18-,19-,20+,22+,25-,26-,27-,28-,29+,35-,40-,42-/m0/s1 |
| InChIKey | GSCMQULDSZTLKO-SQHCRENESA-N |
| Literature Reference Author | O.JOHDO,Y.WATANABE,T.ISHIKURA,A.YOSHIMOTO,H.NAGANAWA,T.SAWA, T.TAKEUCHI |
| Literature Reference Citation | J.ANTIBIOTICS,44,1121(1991) |
| Literature Reference DOI | 10.7164/antibiotics.44.1121 |
| Molecular Weight | 811.881 g/mol |
| Sample ID | 66561 |
| Solvent | CDCl3 |