Spektraris NMR
picrorosides A
Common Name: picrorosides A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H30O12/c25-14(7-6-11-4-2-1-3-5-11)32-9-13-18(27)19(28)20(29)23(34-13)36-22-16-12-8-15(35-22)33-10-24(16,31)21(30)17(12)26/h1-7,12-13,15-23,26-31H,8-10H2/b7-6+/t12-,13-,15-,16-,17+,18-,19+,20-,21-,22+,23+,24-/m1/s1
InChIKey: InChIKey=QIMNZOQHKVLDAD-OSBIBARKSA-N
Formula: C24H30O12
Molecular Weight: 510.488743
Exact Mass: 510.173726
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Kim, I.H., Uchiyama, N., Kawahara, N., Goda, Y. Phytochemistry (2006) 67, 2691
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) | 93.5 |
| 3 (CH) | 95.9 |
| 4 (CH2) | 34.8 |
| 5 (CH) | 35.9 |
| 6 (CH) | 84.5 |
| 7 (CH) | 74.7 |
| 8 (C) | 79.9 |
| 9 (CH) | 48 |
| 10 (CH2) | 62.2 |
| 1' (CH) | 99.1 |
| 2' (CH) | 74.6 |
| 3' (CH) | 78 |
| 4' (CH) | 71.6 |
| 5' (CH) | 75.6 |
| 6' (CH2) | 64.8 |
| 6'a (C) | 168.5 |
| 6'b (CH) | 118.6 |
| 6'c (CH) | 146.4 |
| 6'd (C) | 135.7 |
| 6'e (CH) | 129.3 |
| 6'f (CH) | 130 |
| 6'g (CH) | 131.6 |
| 6'h (CH) | 130 |
| 6'i (CH) | 129.3 |
