Spektraris NMR
Pierisformoside C
Common Name: Pierisformoside C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H38O7/c1-13-15-9-19(33-23-22(30)21(29)20(28)18(11-27)32-23)24(2,3)17(15)7-8-26-10-14(5-6-16(13)26)25(4,31)12-26/h7-8,14,16,18-23,27-31H,1,5-6,9-12H2,2-4H3/t14-,16+,18-,19+,20-,21+,22-,23?,25-,26+/m1/s1
InChIKey: InChIKey=KQXAOIYTWNOVPZ-MQUCAQPZSA-N
Formula: C26H38O7
Molecular Weight: 462.576716
Exact Mass: 462.261754
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 (C) | 137.6 |
| 2 (CH2) | 42.3 |
| 3 (CH) | 87.4 |
| 4 (C) | 51.1 |
| 5 (C) | 139.5 |
| 6 (CH) | 119.1 |
| 7 (CH) | 143.3 |
| 8 (C) | 50.9 |
| 9 (CH) | 46.6 |
| 10 (C) | 149.3 |
| 11 (CH2) | 25 |
| 12 (CH2) | 26.2 |
| 13 (CH) | 50.7 |
| 14 (CH2) | 41.4 |
| 15 (CH2) | 57.7 |
| 16 (C) | 79.8 |
| 17 (CH3) | 24.5 |
| 18 (CH3) | 25.7 |
| 19 (CH3) | 21.7 |
| 20 (CH2) | 114.7 |
| 3a (CH) | 106.2 |
| 3b (CH) | 75.7 |
| 3c (CH) | 78.7 |
| 3d (CH) | 71.9 |
| 3e (CH) | 78.6 |
| 3f (CH2) | 63.1 |
