| SpectraBase Compound ID | HmoTfI1vZid |
|---|---|
| InChI | InChI=1S/C29H42NO7.O/c1-7-12(3)25(34)37-20-16-13(4)9-28-17(20)23-29(22(28)19(16)32)11-14(36-15(31)8-2)10-27(5)21(29)18(24(28)33)30(23,6)26(27)35;/h12,14,16-24,26,32-33,35H,4,7-11H2,1-3,5-6H3;/q+1;-1/t12-,14+,16-,17?,18-,19-,20-,21-,22-,23+,24+,26-,27-,28+,29+,30?;/m1./s1 |
| InChIKey | KSHJWKIXIXOXPW-GVMJLPCPSA-N |
| Mol Weight | 532.7 g/mol |
| Molecular Formula | C29H42NO8 |
| Exact Mass | 532.291042 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AxOIrIOdMSP |
|---|---|
| Name | (-)-(13-R,19-S)-7-BETA,11-ALPHA,19-TRIHYDROXY-N-METHYL-13-(S-2-METHYLBUTYRYLOXY)-2-ALPHA-PROPIONYLOXYHETISANIUM_HYDROXIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H42NO8 |
| InChI | InChI=1S/C29H42NO7.O/c1-7-12(3)25(34)37-20-16-13(4)9-28-17(20)23-29(22(28)19(16)32)11-14(36-15(31)8-2)10-27(5)21(29)18(24(28)33)30(23,6)26(27)35;/h12,14,16-24,26,32-33,35H,4,7-11H2,1-3,5-6H3;/q+1;-1/t12-,14+,16-,17?,18-,19-,20-,21-,22-,23+,24+,26-,27-,28+,29+,30?;/m1./s1 |
| InChIKey | KSHJWKIXIXOXPW-GVMJLPCPSA-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 | 532.654 g/mol |
| Sample ID | 41145 |
| Solvent | ACETONE-D6 |