Spektraris NMR
Erythrodiol diacetate
Common Name: Erythrodiol diacetate
Synonyms: Erythrodiol diacetate
CAS Registry Number:
InChI: InChI=1S/C34H54O4/c1-22(35)37-21-34-18-16-29(3,4)20-25(34)24-10-11-27-31(7)14-13-28(38-23(2)36)30(5,6)26(31)12-15-33(27,9)32(24,8)17-19-34/h10,25-28H,11-21H2,1-9H3/t25-,26-,27+,28-,31-,32+,33+,34+/m0/s1
InChIKey: InChIKey=DGYMSRDXTBOSQL-HYOGYQTGSA-N
Formula: C34H54O4
Molecular Weight: 526.791441
Exact Mass: 526.40221
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Garcia-Granados, A., Lopez, P.E., Melguizo, E., Parra, A., Simeo, Y. Tetrahedron (2004) 60, 1491-503
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH2) | 38.3 |
| 2 (CH2) | 23.6 |
| 3 (CH) | 80.9 |
| 4 (C) | 35.8 |
| 5 (CH) | 55.3 |
| 6 (CH2) | 18.3 |
| 7 (CH2) | 32.5 |
| 8 (C) | 36.9 |
| 9 (CH) | 47.6 |
| 10 (C) | 37.8 |
| 11 (CH2) | 23.6 |
| 12 (CH) | 122.9 |
| 13 (C) | 143.7 |
| 14 (C) | 41.7 |
| 15 (CH2) | 25.6 |
| 16 (CH2) | 22.3 |
| 17 (C) | 39.8 |
| 18 (CH) | 42.6 |
| 19 (CH2) | 46.3 |
| 20 (C) | 30.9 |
| 21 (CH2) | 34 |
| 22 (CH2) | 31.4 |
| 23 (CH3) | 28.1 |
| 24 (CH3) | 16.7 |
| 25 (CH3) | 15.6 |
| 26 (CH3) | 16.7 |
| 27 (CH3) | 26 |
| 28 (CH2) | 70.8 |
| 29 (CH3) | 33.2 |
| 30 (CH3) | 21.4 |
| 3a (C) | 171.1 |
| 3b (CH3) | 21.4 |
| 28a (C) | 171.4 |
| 28b (CH3) | 21 |
