| SpectraBase Compound ID | IGD57F2y0KH |
|---|---|
| InChI | InChI=1S/C35H56O15/c1-6-9-11-44-26(45-12-10-7-2)14-20-19(8-3)34(50-35-30(39)29(38)28(37)25(15-36)49-35)47-17-23(20)31(40)48-24-13-21-22(18(24)4)16-46-33(42)27(21)32(41)43-5/h8,17-22,24-30,33-39,42H,3,6-7,9-16H2,1-2,4-5H3/t18-,19-,20+,21+,22-,24+,25+,27+,28+,29-,30+,33-,34+,35-/m1/s1 |
| InChIKey | KMQVPWRANRZJOJ-VPFOFTIRSA-N |
| Mol Weight | 716.8 g/mol |
| Molecular Formula | C35H56O15 |
| Exact Mass | 716.361921 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3ygbZpDvDhi |
|---|---|
| Name | PTEROCESIDE-D;LACINIATOSIDE-I-7-DIBUTYL-ACETAL |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H56O15 |
| InChI | InChI=1S/C35H56O15/c1-6-9-11-44-26(45-12-10-7-2)14-20-19(8-3)34(50-35-30(39)29(38)28(37)25(15-36)49-35)47-17-23(20)31(40)48-24-13-21-22(18(24)4)16-46-33(42)27(21)32(41)43-5/h8,17-22,24-30,33-39,42H,3,6-7,9-16H2,1-2,4-5H3/t18-,19-,20+,21+,22-,24+,25+,27+,28+,29-,30+,33-,34+,35-/m1/s1 |
| InChIKey | KMQVPWRANRZJOJ-VPFOFTIRSA-N |
| Literature Reference Author | Y.WU,Y.YIN,Y.LI,F.GUO,G.ZHU |
| Literature Reference Citation | MAGN.RES.CHEM.,52,734(2014) |
| Literature Reference DOI | 10.1002/mrc.4116 |
| Molecular Weight | 716.821 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWBT15823 |