Spektraris NMR
Myricadiol
Common Name: Myricadiol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O2/c1-25(2)16-17-30(19-31)15-10-22-28(6)12-8-20-26(3,4)24(32)11-14-27(20,5)21(28)9-13-29(22,7)23(30)18-25/h10,20-21,23-24,31-32H,8-9,11-19H2,1-7H3/t20-,21+,23-,24-,27-,28+,29+,30-/m0/s1
InChIKey: InChIKey=RJAKLUPHSBOQNU-GCHNNGBASA-N
Formula: C30H50O2
Molecular Weight: 442.717924
Exact Mass: 442.381081
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sakuri N., Yaguchi Y., Inoue T. Phytochemistry (1987) 26, 217
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Taraxeranes; 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) | 37.8 |
| 2 (CH2) | 28 |
| 3 (CH) | 78.2 |
| 4 (C) | 41.4 |
| 5 (CH) | 56 |
| 6 (CH2) | 19.2 |
| 7 (CH2) | 36.3 |
| 8 (C) | 39.3 |
| 9 (CH) | 45.6 |
| 10 (C) | 37.8 |
| 11 (CH2) | 17.9 |
| 12 (CH2) | 31.2 |
| 13 (C) | 38.3 |
| 14 (C) | 158.7 |
| 15 (CH) | 116.8 |
| 16 (CH2) | 33.2 |
| 17 (C) | 38.3 |
| 18 (CH) | 49.6 |
| 19 (CH2) | 41.7 |
| 20 (C) | 28.8 |
| 21 (CH2) | 33.8 |
| 22 (CH2) | 28.7 |
| 23 (CH3) | 28.4 |
| 24 (CH3) | 16.5 |
| 25 (CH3) | 15.7 |
| 26 (CH3) | 30.1 |
| 27 (CH3) | 26.2 |
| 28 (CH2) | 64.6 |
| 29 (CH3) | 33.8 |
| 30 (CH3) | 22 |
