| SpectraBase Compound ID | 7o9RvFam2dW |
|---|---|
| InChI | InChI=1S/C36H38O11/c1-39-24-18-23(20-15-11-8-12-16-20)46-33-26(24)28(38)34(42-4)36(44-6)35(33,43-5)27-29(47-36)25-21(37)17-22(19-13-9-7-10-14-19)45-30(25)32(41-3)31(27)40-2/h7-16,21-24,34,37H,17-18H2,1-6H3/t21-,22+,23+,24-,34-,35-,36-/m1/s1 |
| InChIKey | XIIREHQYOZVJHT-VZDSASJISA-N |
| Mol Weight | 646.7 g/mol |
| Molecular Formula | C36H38O11 |
| Exact Mass | 646.241412 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BmB3ffMgwcR |
|---|---|
| Name | 6''-EPI-CALYFLORENONE-B |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H38O11 |
| InChI | InChI=1S/C36H38O11/c1-39-24-18-23(20-15-11-8-12-16-20)46-33-26(24)28(38)34(42-4)36(44-6)35(33,43-5)27-29(47-36)25-21(37)17-22(19-13-9-7-10-14-19)45-30(25)32(41-3)31(27)40-2/h7-16,21-24,34,37H,17-18H2,1-6H3/t21-,22+,23+,24-,34-,35-,36-/m1/s1 |
| InChIKey | XIIREHQYOZVJHT-VZDSASJISA-N |
| Literature Reference Author | R.MAYER |
| Literature Reference Citation | PHYTOCHEM.,65,593(2004) |
| Literature Reference DOI | 10.1016/j.phytochem.2004.01.001 |
| Molecular Weight | 646.691 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU34612 |