| SpectraBase Compound ID | 4reIymDS98Z |
|---|---|
| InChI | InChI=1S/C62H109N3O20/c1-34(17-13-11-12-16-24-65-61(63)64-10)25-38(5)58-37(4)18-14-15-19-47(68)39(6)50(71)28-44(67)26-43(66)27-45(83-56(78)32-55(76)77)29-46-30-53(74)59(80)62(82,85-46)33-54(75)35(2)20-22-48(69)40(7)51(72)31-52(73)41(8)49(70)23-21-36(3)57(79)42(9)60(81)84-58/h14-15,17-19,21,35,37-54,57-59,66-75,79-80,82H,11-13,16,20,22-33H2,1-10H3,(H,76,77)(H3,63,64,65)/b18-14+,19-15+,34-17+,36-21+ |
| InChIKey | XCVHAWZLPUJTAT-VRCLEKHYSA-N |
| Mol Weight | 1216.6 g/mol |
| Molecular Formula | C62H109N3O20 |
| Exact Mass | 1215.760443 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B5Y3u5yJgCQ |
|---|---|
| Name | MALOLACTOMYCIN_C |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C62H109N3O20 |
| InChI | InChI=1S/C62H109N3O20/c1-34(17-13-11-12-16-24-65-61(63)64-10)25-38(5)58-37(4)18-14-15-19-47(68)39(6)50(71)28-44(67)26-43(66)27-45(83-56(78)32-55(76)77)29-46-30-53(74)59(80)62(82,85-46)33-54(75)35(2)20-22-48(69)40(7)51(72)31-52(73)41(8)49(70)23-21-36(3)57(79)42(9)60(81)84-58/h14-15,17-19,21,35,37-54,57-59,66-75,79-80,82H,11-13,16,20,22-33H2,1-10H3,(H,76,77)(H3,63,64,65)/b18-14+,19-15+,34-17+,36-21+ |
| InChIKey | XCVHAWZLPUJTAT-VRCLEKHYSA-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 | 1216.556 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ5229 |