Spektraris NMR
Jaspiferal B
Common Name: Jaspiferal B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H36O5/c1-17(9-7-15-28)8-6-10-18(2)23-19(29)16-21-25(3)14-12-22(30)27(5,24(31)32)20(25)11-13-26(21,23)4/h6-10,15,20-22,30H,11-14,16H2,1-5H3,(H,31,32)/b9-7+,10-6+,17-8+,23-18-/t20-,21+,22-,25+,26+,27-/m1/s1
InChIKey: InChIKey=OOLFHQKWNFLQEI-CNFCMUDPSA-N
Formula: C27H36O5
Molecular Weight: 440.572761
Exact Mass: 440.256274
NMR Solvent: C+C
MHz:
Calibration:
NMR references: 13C - Kobayashi, J., Yuasa, K., Kobayashi, T., Sasaki, T., Tsuda, M. Tetrahedron (1996) 52, 5745-50
Species:
Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Isomalabaricanes; 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) | 28.7 |
| 2 (CH2) | 27.4 |
| 3 (CH) | 70.3 |
| 4 (C) | 47.5 |
| 5 (CH) | 40.3 |
| 6 (CH2) | 20.1 |
| 7 (CH2) | 38.5 |
| 8 (C) | 45 |
| 9 (CH) | 49.4 |
| 10 (C) | 35.8 |
| 11 (CH2) | 36.7 |
| 12 (C) | 207.6 |
| 13 (C) | 149 |
| 14 (C) | 140.5 |
| 15 (CH) | 138.1 |
| 16 (CH) | 130.5 |
| 17 (CH) | 140.5 |
| 18 (CH3) | 14.3 |
| 19 (CH3) | 19.7 |
| 20 (C) | 136.3 |
| 21 (CH3) | 12.8 |
| 22 (CH) | 157.1 |
| 23 (CH) | 128.3 |
| 24 (CH) | 194.4 |
| 28 (CH3) | 23.5 |
| 29 (C) | 180.5 |
| 30 (CH3) | 25.8 |
