| SpectraBase Compound ID | 1ihIBZsK2I8 |
|---|---|
| InChI | InChI=1S/C40H60O6/c1-22(2)25-21-26-30(32(42)31(25)41)40(9)19-10-16-37(5,6)35(40)34-33(26)45-29(46-34)20-23(3)12-14-27-24(4)13-15-28-38(27,7)17-11-18-39(28,8)36(43)44/h21-23,27-29,33-35,41-42H,4,10-20H2,1-3,5-9H3,(H,43,44)/t23-,27+,28?,29+,33-,34-,35?,38-,39+,40+/m0/s1 |
| InChIKey | XWJQKJGYCVQLON-IYIVVFGTSA-N |
| Mol Weight | 636.9 g/mol |
| Molecular Formula | C40H60O6 |
| Exact Mass | 636.43899 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7zzJRw6vKfH |
|---|---|
| Name | ABIETA-8,11,13-TRIEN-11,12-DIOL-6-ALPHA,7-ALPHA-DIHYDROXY-IMBrICATOLIC-ACID-15'-YL |
| Compound Number | 21 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H60O6 |
| InChI | InChI=1S/C40H60O6/c1-22(2)25-21-26-30(32(42)31(25)41)40(9)19-10-16-37(5,6)35(40)34-33(26)45-29(46-34)20-23(3)12-14-27-24(4)13-15-28-38(27,7)17-11-18-39(28,8)36(43)44/h21-23,27-29,33-35,41-42H,4,10-20H2,1-3,5-9H3,(H,43,44)/t23-,27+,28?,29+,33-,34-,35?,38-,39+,40+/m0/s1 |
| InChIKey | XWJQKJGYCVQLON-IYIVVFGTSA-N |
| Literature Reference Author | W.C.SU,J.M.FANG,Y.S.CHENG |
| Literature Reference Citation | PHYTOCHEM.,41,255(1996) |
| Literature Reference DOI | 10.1016/0031-9422(95)00417-3 |
| Molecular Weight | 636.913 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU3865 |