Spektraris NMR
Persianone B
Common Name: Persianone B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C40H60O6/c1-25-29(12-11-27-14-21-44-23-27)38(7)18-9-16-36(3,4)34(38)30(41)32(25)46-33-26(2)40(43,20-13-28-15-22-45-24-28)39(8)19-10-17-37(5,6)35(39)31(33)42/h14-15,21-24,26,30-35,41-43H,9-13,16-20H2,1-8H3/t26-,30-,31-,32+,33-,34+,35+,38-,39+,40-/m1/s1
InChIKey: InChIKey=FLAAXQORSQZSJA-CEZSWEIVSA-N
Formula: C40H60O6
Molecular Weight: 636.902311
Exact Mass: 636.43899
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rustaiyan, A., Mossleminkupaii, M.H., Papastergiou, F., Jakupovic, J. Phytochemistry (1995) 40, 875-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) | 34.3 |
| 2 (CH2) | 18.7 |
| 3 (CH2) | 43.5 |
| 4 (C) | 33.7 |
| 5 (CH) | 47.4 |
| 6 (CH) | 67 |
| 7 (CH) | 65.1 |
| 8 (CH) | 36.4 |
| 9 (C) | 78.4 |
| 10 (C) | 42.8 |
| 11 (CH2) | 35.3 |
| 12 (CH2) | 22.7 |
| 13 (C) | 125.2 |
| 14 (CH) | 110.8 |
| 15 (CH) | 143 |
| 16 (CH) | 138.5 |
| 17 (CH3) | 12.4 |
| 18 (CH3) | 33.9 |
| 19 (CH3) | 24.6 |
| 20 (CH3) | 19.8 |
| 1' (CH2) | 39.6 |
| 2' (CH2) | 19.2 |
| 3' (CH2) | 42.8 |
| 4' (C) | 34.3 |
| 5' (CH) | 48.6 |
| 6' (CH) | 71.6 |
| 7' (CH) | 67.6 |
| 8' (C) | 124.4 |
| 9' (C) | 144.7 |
| 10' (C) | 39.1 |
| 11' (CH2) | 28.9 |
| 12' (CH2) | 25.2 |
| 13' (C) | 125.2 |
| 14' (CH) | 110.8 |
| 15' (CH) | 142.8 |
| 16' (CH) | 138.5 |
| 17' (CH3) | 18.9 |
| 18' (CH3) | 33.9 |
| 19' (CH3) | 24.1 |
| 20' (CH3) | 21.5 |
