| SpectraBase Compound ID | AvkgagSPML |
|---|---|
| InChI | InChI=1S/C34H50O14/c1-18(2)11-26(37)46-30(20(5)6)31(40)44-17-34(41)25(45-28(39)14-33(9,10)48-22(8)36)13-24-23(15-42-21(7)35)16-43-32(29(24)34)47-27(38)12-19(3)4/h13,16,18-20,25,29-30,32,41H,11-12,14-15,17H2,1-10H3/t25-,29+,30?,32-,34+/m0/s1 |
| InChIKey | CIZJPULCDUBAOL-SKBILOKCSA-N |
| Mol Weight | 682.8 g/mol |
| Molecular Formula | C34H50O14 |
| Exact Mass | 682.320056 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LJ6U9TWa07R |
|---|---|
| Name | VALERIOTETRATE_B |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H50O14 |
| InChI | InChI=1S/C34H50O14/c1-18(2)11-26(37)46-30(20(5)6)31(40)44-17-34(41)25(45-28(39)14-33(9,10)48-22(8)36)13-24-23(15-42-21(7)35)16-43-32(29(24)34)47-27(38)12-19(3)4/h13,16,18-20,25,29-30,32,41H,11-12,14-15,17H2,1-10H3/t25-,29+,30?,32-,34+/m0/s1 |
| InChIKey | CIZJPULCDUBAOL-SKBILOKCSA-N |
| Literature Reference Author | R.WANG,D.XIAO,Y.H.BIAN,X.Y.ZHANG,B.J.LI,L.S.DING,S.L.PENG |
| Literature Reference Citation | J.NAT.PROD.,71,1254(2008) |
| Literature Reference DOI | 10.1021/np070598p |
| Molecular Weight | 682.763 g/mol |
| Sample ID | 28721 |
| Solvent | CDCl3 |