| SpectraBase Compound ID | 4LQ1ZeBxWum |
|---|---|
| InChI | InChI=1S/C44H78N10O11/c1-18-24(4)30(48-36(62)41(10,11)51-33(59)29(23(2)3)47-37(63)42(12,13)53-38(64)43(14,15)49-27(7)56)34(60)52-40(8,9)35(61)46-25(5)31(57)45-26(6)32(58)50-44(16,17)39(65)54-21-19-20-28(54)22-55/h23-26,28-30,55H,18-22H2,1-17H3,(H,45,57)(H,46,61)(H,47,63)(H,48,62)(H,49,56)(H,50,58)(H,51,59)(H,52,60)(H,53,64)/t24?,25-,26-,28-,29-,30-/m0/s1 |
| InChIKey | HZQUHROMJDWEGY-MFJOFLISSA-N |
| Mol Weight | 923.2 g/mol |
| Molecular Formula | C44H78N10O11 |
| Exact Mass | 922.585153 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1uY9oXF0swW |
|---|---|
| Name | ASPERELINE_C |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H78N10O11 |
| InChI | InChI=1S/C44H78N10O11/c1-18-24(4)30(48-36(62)41(10,11)51-33(59)29(23(2)3)47-37(63)42(12,13)53-38(64)43(14,15)49-27(7)56)34(60)52-40(8,9)35(61)46-25(5)31(57)45-26(6)32(58)50-44(16,17)39(65)54-21-19-20-28(54)22-55/h23-26,28-30,55H,18-22H2,1-17H3,(H,45,57)(H,46,61)(H,47,63)(H,48,62)(H,49,56)(H,50,58)(H,51,59)(H,52,60)(H,53,64)/t24?,25-,26-,28-,29-,30-/m0/s1 |
| InChIKey | HZQUHROMJDWEGY-MFJOFLISSA-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 | 923.164 g/mol |
| Sample ID | 32708 |
| Solvent | DMSO-D6 |