Spektraris NMR
3R*,4R*,-Dihydroxyclerod-13E-en-15-al
Common Name: 3R*,4R*,-Dihydroxyclerod-13E-en-15-al
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H34O3/c1-14(10-13-21)8-11-18(3)15(2)9-12-19(4)16(18)6-7-17(22)20(19,5)23/h10,13,15-17,22-23H,6-9,11-12H2,1-5H3/b14-10+/t15-,16-,17-,18+,19-,20+/m1/s1
InChIKey: InChIKey=FHGDVJFLHNYKMZ-GMVHPELISA-N
Formula: C20H34O3
Molecular Weight: 322.482918
Exact Mass: 322.250795
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 : Clerodanes; 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) | 16.8 |
| 2 (CH2) | 30.9 |
| 3 (CH) | 76.4 |
| 4 (C) | 75.9 |
| 5 (C) | 41.6 |
| 6 (CH2) | 32.6 |
| 7 (CH2) | 26.9 |
| 8 (CH) | 36.4 |
| 9 (C) | 38.9 |
| 10 (CH) | 40.8 |
| 11 (CH2) | 36.6 |
| 12 (CH2) | 34.5 |
| 13 (C) | 163.1 |
| 14 (CH) | 127.6 |
| 15 (CH) | 189.8 |
| 16 (CH3) | 17.1 |
| 17 (CH3) | 16.1 |
| 18 (CH3) | 17.4 |
| 19 (CH3) | 21.7 |
| 20 (CH3) | 18.4 |
