| SpectraBase Compound ID | 1SaWF6fx2TT |
|---|---|
| InChI | InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-11-15-21-31(38)33-23-24-34(42-33)32(39)22-17-16-19-29(36)18-13-12-14-20-30(37)26-28-25-27(2)41-35(28)40/h25,27,29-34,36-39H,3-24,26H2,1-2H3/t27-,29?,30+,31?,32?,33-,34+/m1/s1 |
| InChIKey | XNODZYPOIPVPRF-GTQJILCVSA-N |
| Mol Weight | 596.9 g/mol |
| Molecular Formula | C35H64O7 |
| Exact Mass | 596.465204 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5bZLU2cfJ3S |
|---|---|
| Name | ASITRILOBIN-B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H64O7 |
| InChI | InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-11-15-21-31(38)33-23-24-34(42-33)32(39)22-17-16-19-29(36)18-13-12-14-20-30(37)26-28-25-27(2)41-35(28)40/h25,27,29-34,36-39H,3-24,26H2,1-2H3/t27-,29?,30+,31?,32?,33-,34+/m1/s1 |
| InChIKey | XNODZYPOIPVPRF-GTQJILCVSA-N |
| Literature Reference Author | M.H.WOO,D.H.KIM,J.L.MCLAUGHLIN |
| Literature Reference Citation | PHYTOCHEM.,50,1033(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00632-3 |
| Molecular Weight | 596.889 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN1527 |