| SpectraBase Compound ID | 4jU2dVsFr8f |
|---|---|
| InChI | InChI=1S/C62H97NO18S/c1-45(27-19-15-11-10-12-16-20-28-46(2)62(76)77)61(75)48(4)58(73)36-21-17-13-8-6-5-7-9-14-18-22-37-60(81-82(78,79)80)47(3)59(74)44-57(72)43-54(69)34-25-33-53(68)42-56(71)41-52(67)32-24-31-50(65)39-49(64)29-23-30-51(66)40-55(70)35-26-38-63/h5-10,12-14,16-25,27-29,32,34,36,45,47-58,60-61,64-73,75H,11,15,26,30-31,33,35,37-44,63H2,1-4H3,(H,76,77)(H,78,79,80)/b7-5+,8-6+,12-10+,14-9+,17-13+,20-16+,22-18+,27-19+,29-23+,32-24+,34-25+,36-21+,46-28+ |
| InChIKey | RDEZRSOXSQHNOU-MZAOIEPISA-N |
| Mol Weight | 1176.5 g/mol |
| Molecular Formula | C62H97NO18S |
| Exact Mass | 1175.642636 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9Ro85RlZLme |
|---|---|
| Name | MEDIOMYCIN_A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C62H97NO18S |
| InChI | InChI=1S/C62H97NO18S/c1-45(27-19-15-11-10-12-16-20-28-46(2)62(76)77)61(75)48(4)58(73)36-21-17-13-8-6-5-7-9-14-18-22-37-60(81-82(78,79)80)47(3)59(74)44-57(72)43-54(69)34-25-33-53(68)42-56(71)41-52(67)32-24-31-50(65)39-49(64)29-23-30-51(66)40-55(70)35-26-38-63/h5-10,12-14,16-25,27-29,32,34,36,45,47-58,60-61,64-73,75H,11,15,26,30-31,33,35,37-44,63H2,1-4H3,(H,76,77)(H,78,79,80)/b7-5+,8-6+,12-10+,14-9+,17-13+,20-16+,22-18+,27-19+,29-23+,32-24+,34-25+,36-21+,46-28+ |
| InChIKey | RDEZRSOXSQHNOU-MZAOIEPISA-N |
| Literature Reference Author | P.CAI,F.KONG,P.FINK,M.E.RUPPEN,R.T.WILLIAMSON,T.KEIKO |
| Literature Reference Citation | J.NAT.PROD.,70,215(2007) |
| Literature Reference DOI | 10.1021/np060542f |
| Molecular Weight | 1176.508 g/mol |
| Sample ID | 29622 |
| Solvent | CD3OD |