Spektraris NMR
Pierisformoside B
Common Name: Pierisformoside B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H42O8/c1-13-15-6-5-14-10-25(15,12-24(14,4)31)7-8-26(32)16(13)9-18(23(26,2)3)34-22-21(30)20(29)19(28)17(11-27)33-22/h14-22,27-32H,1,5-12H2,2-4H3/t14-,15+,16-,17-,18+,19-,20+,21-,22?,24-,25+,26-/m1/s1
InChIKey: InChIKey=KIKGYOSHZWMRMA-QANUSOKKSA-N
Formula: C26H42O8
Molecular Weight: 482.607884
Exact Mass: 482.287968
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Wang, L.Q., Chen, S.N., Cheng, K.F., Li, C.J., Qin, G.W. Phytochemistry (2000) 54, 847-52
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Grayananes; 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) | 50.6 |
| 2 (CH2) | 35.2 |
| 3 (CH) | 88.5 |
| 4 (C) | 52.1 |
| 5 (C) | 81.8 |
| 6 (CH2) | 32.8 |
| 7 (CH2) | 40.2 |
| 8 (C) | 47.1 |
| 9 (CH) | 54.3 |
| 10 (C) | 151.1 |
| 11 (CH2) | 26 |
| 12 (CH2) | 24.7 |
| 13 (CH) | 49.3 |
| 14 (CH2) | 36.3 |
| 15 (CH2) | 58.9 |
| 16 (C) | 79.6 |
| 17 (CH3) | 24.6 |
| 18 (CH3) | 21 |
| 19 (CH3) | 19.2 |
| 20 (CH2) | 111 |
| 3a (CH) | 106.3 |
| 3b (CH) | 75.7 |
| 3c (CH) | 78.7 |
| 3d (CH) | 71.8 |
| 3e (CH) | 78.2 |
| 3f (CH2) | 62.9 |
