Spektraris NMR
Celahypodiol
Common Name: Celahypodiol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H20O3/c1-9-4-5-17(3)12(10(9)2)7-14(18)11-6-15(19)16(20)8-13(11)17/h6,8,12,19-20H,4-5,7H2,1-3H3/t12-,17-/m0/s1
InChIKey: InChIKey=OAGDPGIQCLITJR-SJCJKPOMSA-N
Formula: C17H20O3
Molecular Weight: 272.33954
Exact Mass: 272.141245
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Wang, K., Mao, J., Tai, T., Pan, Y. Bioorg Med Chem Lett (2006) 16, 2274-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Bisabeo-Podocarpanes; 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) | 33.5 |
| 2 (CH2) | 29.8 |
| 3 (C) | 126.6 |
| 4 (C) | 125.9 |
| 5 (CH) | 45.7 |
| 6 (CH2) | 38.7 |
| 7 (C) | 196.5 |
| 8 (C) | 125.2 |
| 9 (C) | 149 |
| 10 (C) | 36.4 |
| 11 (CH) | 111.1 |
| 12 (C) | 144.2 |
| 13 (C) | 151.6 |
| 14 (CH) | 114.4 |
| 15 (CH3) | 15.4 |
| 16 (CH3) | 19.5 |
| 17 (CH3) | 21.8 |
