| SpectraBase Compound ID | JHSDpSo6acW |
|---|---|
| InChI | InChI=1S/C37H58O15/c1-19(2)12-27(39)50-26-15-36(44)25(16-46-33(42)30(22(7)8)51-28(40)13-20(3)4)17-47-35(49-24(11)38)32(36)37(26,45)18-48-34(43)31(23(9)10)52-29(41)14-21(5)6/h17,19-23,26,30-32,35,44-45H,12-16,18H2,1-11H3/t26-,30?,31?,32+,35+,36+,37+/m0/s1 |
| InChIKey | BODYCSNXCSTEMV-KUJQATAQSA-N |
| Mol Weight | 742.9 g/mol |
| Molecular Formula | C37H58O15 |
| Exact Mass | 742.377571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8o8QQp379ZU |
|---|---|
| Name | VALERIOTETRATE_C |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H58O15 |
| InChI | InChI=1S/C37H58O15/c1-19(2)12-27(39)50-26-15-36(44)25(16-46-33(42)30(22(7)8)51-28(40)13-20(3)4)17-47-35(49-24(11)38)32(36)37(26,45)18-48-34(43)31(23(9)10)52-29(41)14-21(5)6/h17,19-23,26,30-32,35,44-45H,12-16,18H2,1-11H3/t26-,30?,31?,32+,35+,36+,37+/m0/s1 |
| InChIKey | BODYCSNXCSTEMV-KUJQATAQSA-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 | 742.859 g/mol |
| Sample ID | 28722 |
| Solvent | CDCl3 |