| SpectraBase Compound ID | 8uQCrG05wvu |
|---|---|
| InChI | InChI=1S/C51H79NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-10)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,31-17+,35-25+/t30-,32-,33-,34-,36-,37+,38+,39+,40-,42+,43+,44-,46-,47-,51-/m1/s1 |
| InChIKey | QFJCIRLUMZQUOT-HPIZFEBUSA-N |
| Mol Weight | 914.2 g/mol |
| Molecular Formula | C51H79NO13 |
| Exact Mass | 913.555142 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4nBQtR5U32B |
|---|---|
| Name | 29-EPI-RAPAMYCIN |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H79NO13 |
| InChI | InChI=1S/C51H79NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-10)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,31-17+,35-25+/t30-,32-,33-,34-,36-,37+,38+,39+,40-,42+,43+,44-,46-,47-,51-/m1/s1 |
| InChIKey | QFJCIRLUMZQUOT-HPIZFEBUSA-N |
| Literature Reference Author | W.YANG,C.A.DIGITIS,M.HATADA,S.NARULA,L.W.ROZAMUS,C.M.HUESTIS ,J.WONG,D.DALGARNO,D |
| Literature Reference Citation | ORG.LETTERS,1,2033(1999) |
| Literature Reference DOI | 10.1021/ol991209o |
| Molecular Weight | 914.187 g/mol |
| Sample ID | 32841 |
| Solvent | DMSO-D6 |