Spektraris NMR
3δ-Hydroxy-5(10),13E-halimadien-15-al
Common Name: 3δ-Hydroxy-5(10),13E-halimadien-15-al
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O2/c1-14(11-13-21)10-12-20(5)15(2)6-7-16-17(20)8-9-18(22)19(16,3)4/h11,13,15,18,22H,6-10,12H2,1-5H3/b14-11+/t15-,18?,20+/m1/s1
InChIKey: InChIKey=YNLONQYDPWSMSG-CWWZXAIJSA-N
Formula: C20H32O2
Molecular Weight: 304.467632
Exact Mass: 304.24023
NMR Solvent: C6D6
MHz:
Calibration:
NMR references: 13C - Nagashima, F., Tanaka, H., Kan, Y., Huneck, S., Asakawa, Y. Phytochemistry (1995) 40, 209-12
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Halimanes; 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) | 24.6 |
| 2 (CH2) | 27.9 |
| 3 (CH) | 75.9 |
| 4 (C) | 40.2 |
| 5 (C) | 137.8 |
| 6 (CH2) | 25.9 |
| 7 (CH2) | 27.4 |
| 8 (CH) | 33.7 |
| 9 (C) | 40.8 |
| 10 (C) | 131.2 |
| 11 (CH2) | 33.9 |
| 12 (CH2) | 35.5 |
| 13 (C) | 162.7 |
| 14 (CH) | 127.4 |
| 15 (CH) | 189.8 |
| 16 (CH3) | 17.2 |
| 17 (CH3) | 16.1 |
| 18 (CH3) | 25.3 |
| 19 (CH3) | 20.2 |
| 20 (CH3) | 21.1 |
