| SpectraBase Compound ID | 9hMAAvaBoUe |
|---|---|
| InChI | InChI=1S/C61H107N3O20/c1-33(16-12-10-11-15-23-64-60(62)63)24-37(5)57-36(4)17-13-14-18-46(67)38(6)49(70)27-43(66)25-42(65)26-44(82-55(77)31-54(75)76)28-45-29-52(73)58(79)61(81,84-45)32-53(74)34(2)19-21-47(68)39(7)50(71)30-51(72)40(8)48(69)22-20-35(3)56(78)41(9)59(80)83-57/h13-14,16-18,20,34,36-53,56-58,65-74,78-79,81H,10-12,15,19,21-32H2,1-9H3,(H,75,76)(H4,62,63,64)/b17-13+,18-14+,33-16+,35-20+ |
| InChIKey | PQURQOOZPVJPIM-NNTIDCKUSA-N |
| Mol Weight | 1202.5 g/mol |
| Molecular Formula | C61H107N3O20 |
| Exact Mass | 1201.744793 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JaEsQHKMSd2 |
|---|---|
| Name | MALOLACTOMYCIN_D |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C61H107N3O20 |
| InChI | InChI=1S/C61H107N3O20/c1-33(16-12-10-11-15-23-64-60(62)63)24-37(5)57-36(4)17-13-14-18-46(67)38(6)49(70)27-43(66)25-42(65)26-44(82-55(77)31-54(75)76)28-45-29-52(73)58(79)61(81,84-45)32-53(74)34(2)19-21-47(68)39(7)50(71)30-51(72)40(8)48(69)22-20-35(3)56(78)41(9)59(80)83-57/h13-14,16-18,20,34,36-53,56-58,65-74,78-79,81H,10-12,15,19,21-32H2,1-9H3,(H,75,76)(H4,62,63,64)/b17-13+,18-14+,33-16+,35-20+ |
| InChIKey | PQURQOOZPVJPIM-NNTIDCKUSA-N |
| Literature Reference Author | Y.TANAKA,H.YOSHIDA,Y.ENOMOTO,K.SHIOMI,M.SHINOSE,Y.TAKAHASHI, J.R.LIU,S.OMURA |
| Literature Reference Citation | J.ANTIBIOTICS,50,194(1997) |
| Literature Reference DOI | 10.7164/antibiotics.50.194 |
| Molecular Weight | 1202.529 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ5230 |