Spektraris NMR
Chrozophoroside A2
Common Name: Chrozophoroside A2
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H44O9/c1-14-5-7-17-16(9-10-26(17,4)20(30)11-15(12-27)6-8-18(14)29)25(2,3)35-24-23(33)22(32)21(31)19(13-28)34-24/h11,16-24,27-33H,1,5-10,12-13H2,2-4H3/b15-11-/t16-,17+,18+,19-,20+,21-,22+,23-,24+,26+/m1/s1
InChIKey: InChIKey=PDZDVKHEIGCULG-UENXIXSBSA-N
Formula: C26H44O9
Molecular Weight: 500.623171
Exact Mass: 500.298533
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Mohamed, K.M., Ohtani, K., Kasai, R., Yamasaki, K. Phytochemistry (1994) 37, 495-500
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Dolabellanes; 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) | 51.9 |
| 2 (CH) | 74.2 |
| 3 (CH) | 129.3 |
| 4 (C) | 140.3 |
| 5 (CH2) | 30 |
| 6 (CH2) | 34 |
| 7 (CH) | 74.2 |
| 8 (C) | 153.2 |
| 9 (CH2) | 35.6 |
| 10 (CH2) | 29.5 |
| 11 (CH) | 42.7 |
| 12 (CH) | 59.6 |
| 13 (CH2) | 26.7 |
| 14 (CH2) | 41.9 |
| 15 (CH3) | 15.9 |
| 16 (CH2) | 60.5 |
| 17 (CH2) | 108.7 |
| 18 (C) | 80.9 |
| 19 (CH3) | 22.9 |
| 20 (CH3) | 26.5 |
| 1' (CH) | 98.5 |
| 2' (CH) | 75.5 |
| 3' (CH) | 78.8 |
| 4' (CH) | 72.4 |
| 5' (CH) | 77.7 |
| 6' (CH2) | 63.5 |
