Spektraris NMR
Caesalmin B
Common Name: Caesalmin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H28O6/c1-11(23)27-16-5-7-20(2,3)22(25)10-15-18-13(21(16,22)4)9-14-12(6-8-26-14)17(18)19(24)28-15/h6,8,13,15-18,25H,5,7,9-10H2,1-4H3/t13-,15-,16-,17+,18-,21-,22+/m0/s1
InChIKey: InChIKey=GXBMHMVGIRRPBD-XTVZKPICSA-N
Formula: C22H28O6
Molecular Weight: 388.45496
Exact Mass: 388.188589
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Jiang, R.W., But, P.P., Ma, S.C., Mak, T.C. Phytochemistry (2001) 57, 517-21
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) | 75.11 |
| 2 (CH2) | 30.66 |
| 3 (CH2) | 30.91 |
| 4 (C) | 39.66 |
| 5 (C) | 82.56 |
| 6 (CH2) | 23.04 |
| 7 (CH) | 82.03 |
| 8 (CH) | 45.51 |
| 9 (CH) | 34.03 |
| 10 (C) | 47.3 |
| 11 (CH2) | 21.65 |
| 12 (C) | 152.79 |
| 13 (C) | 114.75 |
| 14 (CH) | 41.74 |
| 15 (CH) | 107.99 |
| 16 (CH) | 142.28 |
| 17 (C) | 176.64 |
| 18 (CH3) | 28.08 |
| 19 (CH3) | 24.41 |
| 20 (CH3) | 17.35 |
| 1a (C) | 170.65 |
| 1b (CH3) | 20.61 |
