| SpectraBase Compound ID | 9NDdz35sdWR |
|---|---|
| InChI | InChI=1S/C57H89NO16/c1-12-40-19-15-13-14-18-34(2)46(69-9)30-42-23-21-39(7)57(68,74-42)52(64)53(65)58-25-17-16-20-43(58)54(66)72-47(31-44(61)35(3)26-37(5)49(62)51(71-11)50(63)38(6)28-40)36(4)27-41-22-24-45(48(29-41)70-10)73-55(67)56(8,32-59)33-60/h13-15,18-19,26,35-36,38-43,45-49,51,59-60,62,68H,12,16-17,20-25,27-33H2,1-11H3/b14-13+,19-15+,34-18+,37-26+/t35-,36-,38-,39-,40-,41+,42+,43+,45-,46+,47+,48-,49+,51-,57-/m1/s1 |
| InChIKey | XDJOFARUBVHYGE-QOCBOFPYSA-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 | 5H3PiBPdwCs |
|---|---|
| Name | HOMOTEMSIROLIMUSE_B |
| Compound Number | 2B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C57H89NO16 |
| InChI | InChI=1S/C57H89NO16/c1-12-40-19-15-13-14-18-34(2)46(69-9)30-42-23-21-39(7)57(68,74-42)52(64)53(65)58-25-17-16-20-43(58)54(66)72-47(31-44(61)35(3)26-37(5)49(62)51(71-11)50(63)38(6)28-40)36(4)27-41-22-24-45(48(29-41)70-10)73-55(67)56(8,32-59)33-60/h13-15,18-19,26,35-36,38-43,45-49,51,59-60,62,68H,12,16-17,20-25,27-33H2,1-11H3/b14-13+,19-15+,34-18+,37-26+/t35-,36-,38-,39-,40-,41+,42+,43+,45-,46+,47+,48-,49+,51-,57-/m1/s1 |
| InChIKey | XDJOFARUBVHYGE-QOCBOFPYSA-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 | 37363 |
| Solvent | DMSO-D6 |