| SpectraBase Compound ID | JJVn8M2shuB |
|---|---|
| InChI | InChI=1S/C29H40ClNO9/c1-7-8-9-10-11-16(2)14-17(3)12-13-22(35)31-21-15-28(40-20(6)34)26-23(39-26)24(36)29(30,25(21)37-18(4)32)27(28)38-19(5)33/h12-14,16,21,23,25-27H,7-11,15H2,1-6H3,(H,31,35)/b13-12+,17-14+/t16-,21+,23+,25+,26+,27+,28+,29+/m1/s1 |
| InChIKey | LJHJBHHPWCFLLF-QROLCRLZSA-N |
| Mol Weight | 582.1 g/mol |
| Molecular Formula | C29H40ClNO9 |
| Exact Mass | 581.23916 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 3hpelt7NoYM |
|---|---|
| Name | GYMNASTATIN_C_TRIACETATE |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H40ClNO9 |
| InChI | InChI=1S/C29H40ClNO9/c1-7-8-9-10-11-16(2)14-17(3)12-13-22(35)31-21-15-28(40-20(6)34)26-23(39-26)24(36)29(30,25(21)37-18(4)32)27(28)38-19(5)33/h12-14,16,21,23,25-27H,7-11,15H2,1-6H3,(H,31,35)/b13-12+,17-14+/t16-,21+,23+,25+,26+,27+,28+,29+/m1/s1 |
| InChIKey | LJHJBHHPWCFLLF-QROLCRLZSA-N |
| Literature Reference Author | T.AMAGATA,K.MINOURA,A.NUMATA |
| Literature Reference Citation | J.NAT.PROD.,69,1384(2006) |
| Literature Reference DOI | 10.1021/np0600189 |
| Molecular Weight | 582.091 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ15735 |