| SpectraBase Compound ID | 7ohCWwaq1nd |
|---|---|
| InChI | InChI=1S/C29H42NO6.O/c1-7-13(3)25(33)36-21-18-14(4)9-28-12-16-22-27(5)10-15(35-17(31)8-2)11-29(22,23(28)20(18)32)24(19(21)28)30(16,6)26(27)34;/h13,15-16,18-24,26,32,34H,4,7-12H2,1-3,5-6H3;/q+1;-1/t13-,15+,16+,18-,19?,20-,21+,22-,23-,24-,26-,27-,28+,29+,30?;/m1./s1 |
| InChIKey | MAHPFROGJPZGKI-QPDKGCPASA-N |
| Mol Weight | 516.7 g/mol |
| Molecular Formula | C29H42NO7 |
| Exact Mass | 516.296128 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3FQH15DYGyi |
|---|---|
| Name | (-)-(13-R,19-S)-11-ALPHA,19-DIHYDROXY-N-METHYL-13-(S-2-METHYLBUTYRYLOXY)-2-ALPHAPROPIONYLOXYHETISANIUM_HYDROXIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H42NO7 |
| InChI | InChI=1S/C29H42NO6.O/c1-7-13(3)25(33)36-21-18-14(4)9-28-12-16-22-27(5)10-15(35-17(31)8-2)11-29(22,23(28)20(18)32)24(19(21)28)30(16,6)26(27)34;/h13,15-16,18-24,26,32,34H,4,7-12H2,1-3,5-6H3;/q+1;-1/t13-,15+,16+,18-,19?,20-,21+,22-,23-,24-,26-,27-,28+,29+,30?;/m1./s1 |
| InChIKey | MAHPFROGJPZGKI-QPDKGCPASA-N |
| Literature Reference Author | B.JIANG,S.LIN,C.ZHU,S.WANG,Y.WANG,M.CHEN,J.ZHANG,J.HU,N.CHEN ,Y.YANG,J.SHI |
| Literature Reference Citation | J.NAT.PROD.,75,1145(2012) |
| Literature Reference DOI | 10.1021/np300225t |
| Molecular Weight | 516.655 g/mol |
| Sample ID | 41144 |
| Solvent | ACETONE-D6 |