Spektraris NMR
Paniculoside IV
Common Name: Paniculoside IV
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H42O9/c1-23-7-3-8-24(2,22(32)35-21-20(31)19(30)18(29)15(11-27)34-21)16(23)6-9-25-10-14(4-5-17(23)25)26(33,12-25)13-28/h14-21,27-31,33H,3-13H2,1-2H3/t14-,15-,16+,17+,18-,19+,20-,21+,23-,24-,25+,26+/m1/s1
InChIKey: InChIKey=XKXZHTWOHXJEOL-HMQRFDIMSA-N
Formula: C26H42O9
Molecular Weight: 498.607289
Exact Mass: 498.282883
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Harinantenaina, L., Kasai, R., Yamasaki, K. Chem Pharm Bull (2002) 50, 1122-3
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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) | 40.9 |
| 2 (CH2) | 19.5 |
| 3 (CH2) | 38.5 |
| 4 (C) | 44.2 |
| 5 (CH) | 57.5 |
| 6 (CH2) | 22.5 |
| 7 (CH2) | 43.8 |
| 8 (C) | 44.9 |
| 9 (CH) | 56.3 |
| 10 (C) | 40.1 |
| 11 (CH2) | 19 |
| 12 (CH2) | 26.7 |
| 13 (CH) | 45.9 |
| 14 (CH2) | 37.6 |
| 15 (CH2) | 53.7 |
| 16 (C) | 81.7 |
| 17 (CH2) | 66.5 |
| 18 (CH3) | 28.6 |
| 19 (C) | 176.9 |
| 20 (CH3) | 15.9 |
| 1' (CH) | 95.8 |
| 2' (CH) | 74.1 |
| 3' (CH) | 79.3 |
| 4' (CH) | 71.2 |
| 5' (CH) | 79.3 |
| 6' (CH2) | 62.2 |
