| SpectraBase Compound ID | 3ONxLqn5bX8 |
|---|---|
| InChI | InChI=1S/C42H51NO16/c1-8-42(51)15-25(29-30(33(42)40(50)52-7)37(49)31-32(36(29)48)35(47)28-19(34(31)46)10-9-11-21(28)44)57-26-12-20(43(5)6)38(17(3)53-26)58-27-14-23-39(18(4)54-27)59-41-24(56-23)13-22(45)16(2)55-41/h9-11,16-18,20,23-27,33,38-39,41,44,48-49,51H,8,12-15H2,1-7H3/t16-,17-,18-,20-,23-,24+,25+,26-,27-,33+,38+,39+,41-,42+/m1/s1 |
| InChIKey | DKXGZTHFCJJLIP-MSXLCMFASA-N |
| Mol Weight | 825.9 g/mol |
| Molecular Formula | C42H51NO16 |
| Exact Mass | 825.320785 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CKaqt1jA0FI |
|---|---|
| Name | EPELMYCIN-B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H51NO16 |
| InChI | InChI=1S/C42H51NO16/c1-8-42(51)15-25(29-30(33(42)40(50)52-7)37(49)31-32(36(29)48)35(47)28-19(34(31)46)10-9-11-21(28)44)57-26-12-20(43(5)6)38(17(3)53-26)58-27-14-23-39(18(4)54-27)59-41-24(56-23)13-22(45)16(2)55-41/h9-11,16-18,20,23-27,33,38-39,41,44,48-49,51H,8,12-15H2,1-7H3/t16-,17-,18-,20-,23-,24+,25+,26-,27-,33+,38+,39+,41-,42+/m1/s1 |
| InChIKey | DKXGZTHFCJJLIP-MSXLCMFASA-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 | 825.864 g/mol |
| Sample ID | 66562 |
| Solvent | CDCl3 |