| SpectraBase Compound ID | 9OHOoRqqrYo |
|---|---|
| InChI | InChI=1S/C41H46O6/c1-7-24-44-33-16-12-30(13-17-33)38(42)46-35-20-21-36(47-39(43)31-14-18-34(19-15-31)45-25-8-2)32(26-35)27-41(6)29(4)22-23-40(5)28(3)10-9-11-37(40)41/h7-8,10,12-21,26,29,37H,1-2,9,11,22-25,27H2,3-6H3/t29-,37+,40+,41+/m0/s1 |
| InChIKey | TUENVIKWVLQIMY-YGTKTBFYSA-N |
| Mol Weight | 634.8 g/mol |
| Molecular Formula | C41H46O6 |
| Exact Mass | 634.329439 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 4eH72aZhsvO |
|---|---|
| Name | Di-p-allyloxybenzoyl avarol |
| Appearance | amorphous solid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C41H46O6 |
| InChI | InChI=1S/C41H46O6/c1-7-24-44-33-16-12-30(13-17-33)38(42)46-35-20-21-36(47-39(43)31-14-18-34(19-15-31)45-25-8-2)32(26-35)27-41(6)29(4)22-23-40(5)28(3)10-9-11-37(40)41/h7-8,10,12-21,26,29,37H,1-2,9,11,22-25,27H2,3-6H3/t29-,37+,40+,41+/m0/s1 |
| InChIKey | TUENVIKWVLQIMY-YGTKTBFYSA-N |
| Instrument Name | JEOL JMSD-300 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np049873n |
| Molecular Weight | 634.813 g/mol |
| Optical Rotation | [a]D25 = +10.1 (c = 0.11, CHCl3) |
| Reported Formula | C41H46O6 |
| SMILES | C1C[C@@]2([C@@](C(=C1)C)(CC[C@@]([C@]2(Cc1c(ccc(c1)OC(c1ccc(cc1)OCC=C)=O)OC(c1ccc(cc1)OCC=C)=O)C)(C)[H])C)[H] |
| SPLASH | splash10-01ox-0900000000-7a234f3c173563099712 |
| Source of Spectrum | G4-67-1461-5 |
| Wiley ID | 1884068 |