Spektraris NMR
Caesalmin F
Common Name: Caesalmin F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H38O9/c1-14(28)34-20-9-11-24(4,5)27(31)23(36-16(3)30)22(35-15(2)29)21-18(25(20,27)6)13-19-17(10-12-33-19)26(21,7)32-8/h10,12,18,20-23,31H,9,11,13H2,1-8H3/t18-,20-,21-,22+,23-,25-,26+,27+/m0/s1
InChIKey: InChIKey=CJTOTGKHOAAHOA-PTPHJPJZSA-N
Formula: C27H38O9
Molecular Weight: 506.586262
Exact Mass: 506.251583
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) | 73.7 |
| 2 (CH2) | 22.82 |
| 3 (CH2) | 32.37 |
| 4 (C) | 38.52 |
| 5 (C) | 79.06 |
| 6 (CH) | 75.69 |
| 7 (CH) | 76.29 |
| 8 (CH) | 39.39 |
| 9 (CH) | 36.36 |
| 10 (C) | 45.12 |
| 11 (CH2) | 22.3 |
| 12 (C) | 150.97 |
| 13 (C) | 121.83 |
| 14 (C) | 78.81 |
| 15 (CH) | 107.81 |
| 16 (CH) | 142.34 |
| 17 (CH3) | 24.42 |
| 18 (CH3) | 30.24 |
| 19 (CH3) | 24.79 |
| 20 (CH3) | 17.01 |
| 1a (C) | 170.93 |
| 1b (CH3) | 20.23 |
| 6a (C) | 171.29 |
| 6b (CH3) | 20.42 |
| 7a (C) | 171.29 |
| 7b (CH3) | 20.82 |
| 14a (CH3) | 49.6 |
