| SpectraBase Compound ID | ILA6bgnXAYm |
|---|---|
| InChI | InChI=1S/C45H80N10O11/c1-19-25(4)30(48-35(62)40(7,8)51-32(59)29(24(2)3)47-36(63)42(11,12)53-37(64)43(13,14)49-27(6)57)33(60)52-44(15,16)38(65)54-41(9,10)34(61)46-26(5)31(58)50-45(17,18)39(66)55-22-20-21-28(55)23-56/h24-26,28-30,56H,19-23H2,1-18H3,(H,46,61)(H,47,63)(H,48,62)(H,49,57)(H,50,58)(H,51,59)(H,52,60)(H,53,64)(H,54,65)/t25?,26-,28-,29-,30-/m0/s1 |
| InChIKey | TYDXSTUVLGPNBK-LFGLAULDSA-N |
| Mol Weight | 937.2 g/mol |
| Molecular Formula | C45H80N10O11 |
| Exact Mass | 936.600803 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GaXRZ273JYu |
|---|---|
| Name | ASPERELINE_A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H80N10O11 |
| InChI | InChI=1S/C45H80N10O11/c1-19-25(4)30(48-35(62)40(7,8)51-32(59)29(24(2)3)47-36(63)42(11,12)53-37(64)43(13,14)49-27(6)57)33(60)52-44(15,16)38(65)54-41(9,10)34(61)46-26(5)31(58)50-45(17,18)39(66)55-22-20-21-28(55)23-56/h24-26,28-30,56H,19-23H2,1-18H3,(H,46,61)(H,47,63)(H,48,62)(H,49,57)(H,50,58)(H,51,59)(H,52,60)(H,53,64)(H,54,65)/t25?,26-,28-,29-,30-/m0/s1 |
| InChIKey | TYDXSTUVLGPNBK-LFGLAULDSA-N |
| Literature Reference Author | J.REN,C.XUE,L.TIAN,M.XU,J.CHEN,Z.DENG,P.PROKSCH,W.LIN |
| Literature Reference Citation | J.NAT.PROD.,72,1036(2009) |
| Literature Reference DOI | 10.1021/np900190w |
| Molecular Weight | 937.191 g/mol |
| Sample ID | 32706 |
| Solvent | DMSO-D6 |