Spektraris NMR
Sagittines A
Common Name: Sagittines A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O2/c1-5-18(2)11-12-19(3)14(13-18)8-9-16-15(19)7-6-10-20(16,4)17(21)22/h5,9,14-15H,1,6-8,10-13H2,2-4H3,(H,21,22)/t14-,15-,18-,19-,20-/m0/s1
InChIKey: InChIKey=NVQMSTNGSLMEJX-ZESOOZHZSA-N
Formula: C20H30O2
Molecular Weight: 302.45175
Exact Mass: 302.22458
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Liu, X.T., Pan, Q., Shi, Y., Williams, I.D., Sung, H.H., Zhang, Q., Liang, J.Y., Ip, N.Y., Min, Z.D. J Nat Prod (2006) 69, 255-60
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Rosanes; 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) | 25.6 |
| 2 (CH2) | 22.9 |
| 3 (CH2) | 37.6 |
| 4 (C) | 48.2 |
| 5 (C) | 139.3 |
| 6 (CH) | 121.9 |
| 7 (CH2) | 30.1 |
| 8 (CH) | 35.7 |
| 9 (C) | 34.9 |
| 10 (CH) | 48.8 |
| 11 (CH2) | 34 |
| 12 (CH2) | 32.3 |
| 13 (C) | 36.3 |
| 14 (CH2) | 38.9 |
| 15 (CH) | 151.3 |
| 16 (CH2) | 108.6 |
| 17 (CH3) | 22.4 |
| 18 (CH3) | 25.2 |
| 19 (C) | 183.6 |
| 20 (CH3) | 12.6 |
