Spektraris NMR
Caesalmin G
Common Name: Caesalmin G
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O5/c1-18(2)6-4-14(21)19(3)11-8-12-10(5-7-24-12)15-16(11)13(25-17(15)22)9-20(18,19)23/h5,7,11,13-16,21,23H,4,6,8-9H2,1-3H3/t11-,13-,14-,15+,16-,19-,20+/m0/s1
InChIKey: InChIKey=NSXNSJSUAMXKCX-QQUVXZFBSA-N
Formula: C20H26O5
Molecular Weight: 346.418202
Exact Mass: 346.178024
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Jiang, R.W., Ma, S.C., But, P.P., Mak, T.C. J Nat Prod (2001) 64, 1266-72
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Vouacapanes; 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 (CH) | 73.05 |
| 2 (CH2) | 30.23 |
| 3 (CH2) | 31.06 |
| 4 (C) | 40.01 |
| 5 (C) | 83.39 |
| 6 (CH2) | 26.6 |
| 7 (CH) | 81.81 |
| 8 (CH) | 45.35 |
| 9 (CH) | 33.52 |
| 10 (C) | 47.2 |
| 11 (CH2) | 21.77 |
| 12 (C) | 152.65 |
| 13 (C) | 114.57 |
| 14 (CH) | 41.97 |
| 15 (CH) | 108.47 |
| 16 (CH) | 142.08 |
| 17 (C) | 175.56 |
| 18 (CH3) | 28.74 |
| 19 (CH3) | 25.26 |
| 20 (CH3) | 17.79 |
