| SpectraBase Compound ID | LFlYmt9TqZC |
|---|---|
| InChI | InChI=1S/C42H53NO16/c1-8-42(52)16-25(30-31(34(42)41(51)53-7)38(50)32-33(37(30)49)36(48)29-20(35(32)47)10-9-11-23(29)45)57-27-14-21(43(5)6)39(18(3)55-27)59-28-15-24(46)40(19(4)56-28)58-26-13-12-22(44)17(2)54-26/h9-11,17-19,21,24-28,34,39-40,45-46,49-50,52H,8,12-16H2,1-7H3/t17-,18-,19+,21-,24+,25+,26-,27-,28+,34+,39+,40-,42+/m1/s1 |
| InChIKey | DGBFPZUOWZFVHF-ULLAQBEPSA-N |
| Mol Weight | 827.9 g/mol |
| Molecular Formula | C42H53NO16 |
| Exact Mass | 827.336435 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HAOdXMR4U1x |
|---|---|
| Name | EPELMYCIN-E |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H53NO16 |
| InChI | InChI=1S/C42H53NO16/c1-8-42(52)16-25(30-31(34(42)41(51)53-7)38(50)32-33(37(30)49)36(48)29-20(35(32)47)10-9-11-23(29)45)57-27-14-21(43(5)6)39(18(3)55-27)59-28-15-24(46)40(19(4)56-28)58-26-13-12-22(44)17(2)54-26/h9-11,17-19,21,24-28,34,39-40,45-46,49-50,52H,8,12-16H2,1-7H3/t17-,18-,19+,21-,24+,25+,26-,27-,28+,34+,39+,40-,42+/m1/s1 |
| InChIKey | DGBFPZUOWZFVHF-ULLAQBEPSA-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 | 827.880 g/mol |
| Sample ID | 66565 |
| Solvent | CDCl3 |