Spektraris NMR
Phlomurin
Common Name: Phlomurin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H28O11/c1-6-8(20)4-7-10(6)17(28-16(26-3)11(7)15(24)25-2)29-18-14(23)13(22)12(21)9(5-19)27-18/h6,8-10,12-14,16-23H,4-5H2,1-3H3/t6-,8+,9-,10-,12-,13+,14-,16+,17+,18+/m1/s1
InChIKey: InChIKey=PSQQPRMLISSRFV-DWDSXHAQSA-N
Formula: C18H28O11
Molecular Weight: 420.409041
Exact Mass: 420.163162
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Kamel, M.S., Mohamed, K.M., Hassanean, H.A., Ohtani, K., Kasai, R., Yamasaki, K. Phytochemistry (2000) 55, 353-7
Species:
Notes: Family : Terpenoids, Type : Monoterpenoids, Group : Iridoids; 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) | 96.1 |
| 3 (CH) | 97.5 |
| 4 (C) | 125.4 |
| 5 (C) | 160.7 |
| 6 (CH2) | 40.7 |
| 7 (CH) | 76.8 |
| 8 (CH) | 42.9 |
| 9 (CH) | 47.3 |
| 10 (CH3) | 13.4 |
| 11 (C) | 165.1 |
| 1' (CH) | 100.2 |
| 2' (CH) | 74.8 |
| 3' (CH) | 78.5 |
| 4' (CH) | 71.8 |
| 5' (CH) | 78.5 |
| 6' (CH2) | 62.9 |
| 3a (CH3) | 55.8 |
| 11a (CH3) | 51.2 |
