| SpectraBase Compound ID | EkbJreJQY7o |
|---|---|
| InChI | InChI=1S/C44H69NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19+,27-21+/t26-,28+,29+,30-,31-,32-,33+,34-,36+,37-,38-,39+,40+,44+/m0/s1 |
| InChIKey | QJJXYPPXXYFBGM-NCGCDJFJSA-N |
| Mol Weight | 804.0 g/mol |
| Molecular Formula | C44H69NO12 |
| Exact Mass | 803.481977 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1f74XSaK68M |
|---|---|
| Name | 8-EPITACROLIMUS;MAJOR_ROTAMER;(3-S,4-R,5-S,8-S,9-E,12-S,14-S,15-R,1-S,18-R,19-R,26A-S)-5,19-DIHYDROXY-14,16-DIMETHOXY-15,19-EPOXY-5, |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H69NO12 |
| InChI | InChI=1S/C44H69NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19+,27-21+/t26-,28+,29+,30-,31-,32-,33+,34-,36+,37-,38-,39+,40+,44+/m0/s1 |
| InChIKey | QJJXYPPXXYFBGM-NCGCDJFJSA-N |
| Literature Reference Author | D.M.SKYTTE,K.FRYDENVANG,L.HANSEN,P.G.NIELSEN,J.W.JAROSZEWSKI |
| Literature Reference Citation | J.NAT.PROD.,73,776(2010) |
| Literature Reference DOI | 10.1021/np9007975 |
| Molecular Weight | 804.031 g/mol |
| Sample ID | 35402 |
| Solvent | CDCl3 |