| SpectraBase Compound ID | IAUReMBvZrx |
|---|---|
| InChI | InChI=1S/C62H91N7O23S/c1-33(16-18-48(92-62(81)51(85-11)30-82-8)37(5)56(90-38(6)71)34(2)20-21-69(7)32-70)49(84-10)25-50-36(4)47(83-9)14-13-15-53-66-43(28-87-53)59-68-44(29-89-59)60-67-42(27-88-60)57(86-12)35(3)46(73)24-40(22-39(72)23-55(77)91-50)93-31-45(58(78)64-26-54(75)76)65-52(74)19-17-41(63)61(79)80/h13,15,20-21,27-29,32-37,39-41,45,47-51,56-57,72H,14,16-19,22-26,30-31,63H2,1-12H3,(H,64,78)(H,65,74)(H,75,76)(H,79,80)/b15-13+,21-20+/t33?,34?,35?,36?,37?,39?,40?,41-,45-,47?,48?,49?,50?,51?,56?,57?/m0/s1 |
| InChIKey | RUUMJBGFCHHXFD-GQVWWQBWSA-N |
| Mol Weight | 1334.5 g/mol |
| Molecular Formula | C62H91N7O23S |
| Exact Mass | 1333.588703 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8sNvrfWwsAv |
|---|---|
| Name | THIOMYCALOLIDE_B;TRISOXAZOLE-MACROLIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C62H91N7O23S |
| InChI | InChI=1S/C62H91N7O23S/c1-33(16-18-48(92-62(81)51(85-11)30-82-8)37(5)56(90-38(6)71)34(2)20-21-69(7)32-70)49(84-10)25-50-36(4)47(83-9)14-13-15-53-66-43(28-87-53)59-68-44(29-89-59)60-67-42(27-88-60)57(86-12)35(3)46(73)24-40(22-39(72)23-55(77)91-50)93-31-45(58(78)64-26-54(75)76)65-52(74)19-17-41(63)61(79)80/h13,15,20-21,27-29,32-37,39-41,45,47-51,56-57,72H,14,16-19,22-26,30-31,63H2,1-12H3,(H,64,78)(H,65,74)(H,75,76)(H,79,80)/b15-13+,21-20+/t33?,34?,35?,36?,37?,39?,40?,41-,45-,47?,48?,49?,50?,51?,56?,57?/m0/s1 |
| InChIKey | RUUMJBGFCHHXFD-GQVWWQBWSA-N |
| Literature Reference Author | S.MATSUNAGA,Y.NOGATA,N.FUSETANI |
| Literature Reference Citation | J.NAT.PROD.,61,663(1998) |
| Literature Reference DOI | 10.1021/np9704866 |
| Molecular Weight | 1334.498 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ356 |