| SpectraBase Compound ID | 3FXQIvTl36f |
|---|---|
| InChI | InChI=1S/C28H45NO3/c1-15-10-26(32)27(29(5)14-15)17(3)19-6-7-20-21(16(19)2)12-23-22(20)13-25(31)24-11-18(30)8-9-28(23,24)4/h15,17-20,22-24,26-27,30,32H,6-14H2,1-5H3/t15-,17+,18-,19-,20+,22-,23-,24+,26-,27-,28+/m0/s1 |
| InChIKey | RITHKXDOKOLLCZ-WABJNPIBSA-N |
| Mol Weight | 443.7 g/mol |
| Molecular Formula | C28H45NO3 |
| Exact Mass | 443.339944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LmRrSaJJwtL |
|---|---|
| Name | PUQUIENINE_B;(20-R*,22-R*)-N-METHYL-5-ALPHA,17-BETA,25-ALPHA-VERATRAMAN-3-BETA,23-BETA-DIOL-6-OXO |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H45NO3 |
| InChI | InChI=1S/C28H45NO3/c1-15-10-26(32)27(29(5)14-15)17(3)19-6-7-20-21(16(19)2)12-23-22(20)13-25(31)24-11-18(30)8-9-28(23,24)4/h15,17-20,22-24,26-27,30,32H,6-14H2,1-5H3/t15-,17+,18-,19-,20+,22-,23-,24+,26-,27-,28+/m0/s1 |
| InChIKey | RITHKXDOKOLLCZ-WABJNPIBSA-N |
| Literature Reference Author | Y.JIANG,H.LI,P.LI,Z.CAI,W.YE |
| Literature Reference Citation | J.NAT.PROD.,68,264(2005) |
| Literature Reference DOI | 10.1021/np0497649 |
| Molecular Weight | 443.670 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ8848 |