| SpectraBase Compound ID | HkaxTzEif1N |
|---|---|
| InChI | InChI=1S/C43H60O9/c1-24(2)30-21-33(45)27(5)13-11-12-25(3)19-34(46)31-20-28(6)39-32(43(31,22-35(30)47)40(48)49-10)18-26(4)14-15-37-41(8,51-37)17-16-38-42(9,52-38)23-36(39)50-29(7)44/h13,18-19,24,30-32,36-38H,11-12,14-17,20-23H2,1-10H3/b25-19+,26-18+,27-13+/t30-,31+,32-,36+,37-,38-,41+,42-,43+/m1/s1 |
| InChIKey | YDKZWLVXRSMGJS-BDRHNVEZSA-N |
| Mol Weight | 720.9 g/mol |
| Molecular Formula | C43H60O9 |
| Exact Mass | 720.423734 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ih6rzBXjCJ2 |
|---|---|
| Name | METHYL-NEOSARTORTUATE-ACETATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H60O9 |
| InChI | InChI=1S/C43H60O9/c1-24(2)30-21-33(45)27(5)13-11-12-25(3)19-34(46)31-20-28(6)39-32(43(31,22-35(30)47)40(48)49-10)18-26(4)14-15-37-41(8,51-37)17-16-38-42(9,52-38)23-36(39)50-29(7)44/h13,18-19,24,30-32,36-38H,11-12,14-17,20-23H2,1-10H3/b25-19+,26-18+,27-13+/t30-,31+,32-,36+,37-,38-,41+,42-,43+/m1/s1 |
| InChIKey | YDKZWLVXRSMGJS-BDRHNVEZSA-N |
| Literature Reference Author | P.A.LEONE,B.F.BOWDEN,A.R.CARROLL,J.C.COLL,G.V.MEEHAN |
| Literature Reference Citation | J.NAT.PROD.,56,521(1993) |
| Literature Reference DOI | 10.1021/np50094a011 |
| Molecular Weight | 720.944 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWTS1017 |