Spektraris NMR
Hedychiols A diacetate
Common Name: Hedychiols A diacetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H30O5/c1-8-19(7,22)11-9-10-14(4)18(24-16(6)21)17(12-13(2)3)23-15(5)20/h8,10,12,17-18,22H,1,9,11H2,2-7H3/b14-10+/t17-,18-,19-/m1/s1
InChIKey: InChIKey=HRCVDYKTTYCITA-QBPVHFAYSA-N
Formula: C19H30O5
Molecular Weight: 338.439229
Exact Mass: 338.209324
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Morikawa, T., Matsuda, H., Sakamoto, Y., Ueda, K., Yoshikawa, M. Chem Pharm Bull (2002) 50, 1045-9
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Farnesanes; 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) | 111.9 |
| 2 (CH) | 144.8 |
| 3 (C) | 73.2 |
| 4 (CH2) | 41.4 |
| 5 (CH2) | 22.4 |
| 6 (CH) | 130.9 |
| 7 (C) | 130.4 |
| 8 (CH) | 79.9 |
| 9 (CH) | 70.7 |
| 10 (CH) | 119.5 |
| 11 (C) | 139.8 |
| 12 (CH3) | 25.9 |
| 13 (CH3) | 18.6 |
| 14 (CH3) | 12.7 |
| 15 (CH3) | 27.9 |
| 8a (C) | 170.1 |
| 8b (CH3) | 21.1 |
| 9a (C) | 170.1 |
| 9b (CH3) | 21.1 |
