| SpectraBase Compound ID | 4SOIdZxA6iV |
|---|---|
| InChI | InChI=1S/C35H49NO9/c1-8-36-17-33(18-39-3)14-13-25(42-6)35-23-15-22-24(41-5)16-34(45-19(2)37,27(31(35)36)29(43-7)30(33)35)26(23)28(22)44-32(38)20-9-11-21(40-4)12-10-20/h9-12,22-31H,8,13-18H2,1-7H3/t22?,23-,24+,25+,26-,27?,28+,29+,30-,31?,33+,34-,35+/m1/s1 |
| InChIKey | LYUPEIXJYAJCHL-IYVGCNPVSA-N |
| Mol Weight | 627.8 g/mol |
| Molecular Formula | C35H49NO9 |
| Exact Mass | 627.340732 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BKeG2zNYR6j |
|---|---|
| Name | FORESACONITINE |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H49NO9 |
| InChI | InChI=1S/C35H49NO9/c1-8-36-17-33(18-39-3)14-13-25(42-6)35-23-15-22-24(41-5)16-34(45-19(2)37,27(31(35)36)29(43-7)30(33)35)26(23)28(22)44-32(38)20-9-11-21(40-4)12-10-20/h9-12,22-31H,8,13-18H2,1-7H3/t22?,23-,24+,25+,26-,27?,28+,29+,30-,31?,33+,34-,35+/m1/s1 |
| InChIKey | LYUPEIXJYAJCHL-IYVGCNPVSA-N |
| Literature Reference Author | S.W.PELLETIER,B.S.JOSHI,J.A.GLINSKI,H.P.CHOKSHI,S.CHEN,K.BHA NDARY,K.GO |
| Literature Reference Citation | HETEROCYCLES,25,365(1987) |
| Literature Reference DOI | 10.3987/S-1987-01-0365 |
| Molecular Weight | 627.775 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWED5272 |