| SpectraBase Compound ID | EJ70bcmPDza |
|---|---|
| InChI | InChI=1S/C57H89NO16/c1-12-41-22-23-42-30-46(69-9)35(3)19-15-13-14-18-34(2)26-38(6)49(62)51(71-11)50(63)39(7)27-36(4)44(61)31-47(72-54(66)43-20-16-17-25-58(43)53(65)52(64)57(41,68)74-42)37(5)28-40-21-24-45(48(29-40)70-10)73-55(67)56(8,32-59)33-60/h13-15,18-19,27,34,36-38,40-43,45-48,50-51,59-60,63,68H,12,16-17,20-26,28-33H2,1-11H3/b15-13+,18-14+,35-19+,39-27+/t34-,36-,37-,38-,40+,41-,42+,43+,45-,46+,47+,48-,50-,51+,57-/m1/s1 |
| InChIKey | OIJPELYRUDTHNL-ZIZREECXSA-N |
| Mol Weight | 1044.3 g/mol |
| Molecular Formula | C57H89NO16 |
| Exact Mass | 1043.618136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 92g98CHWvgB |
|---|---|
| Name | HOMOTEMSIROLIMUSE_A |
| Compound Number | 2A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C57H89NO16 |
| InChI | InChI=1S/C57H89NO16/c1-12-41-22-23-42-30-46(69-9)35(3)19-15-13-14-18-34(2)26-38(6)49(62)51(71-11)50(63)39(7)27-36(4)44(61)31-47(72-54(66)43-20-16-17-25-58(43)53(65)52(64)57(41,68)74-42)37(5)28-40-21-24-45(48(29-40)70-10)73-55(67)56(8,32-59)33-60/h13-15,18-19,27,34,36-38,40-43,45-48,50-51,59-60,63,68H,12,16-17,20-26,28-33H2,1-11H3/b15-13+,18-14+,35-19+,39-27+/t34-,36-,37-,38-,40+,41-,42+,43+,45-,46+,47+,48-,50-,51+,57-/m1/s1 |
| InChIKey | OIJPELYRUDTHNL-ZIZREECXSA-N |
| Literature Reference Author | F.KONG,T.ZHU,K.YU,T.G.PAGANO,P.DESAI,G.RADEBAUGH,M.FAWZI |
| Literature Reference Citation | J.NAT.PROD.,74,547(2011) |
| Literature Reference DOI | 10.1021/np1003388 |
| Molecular Weight | 1044.331 g/mol |
| Sample ID | 37362 |
| Solvent | DMSO-D6 |