Spektraris NMR
Chrozophoroside A1
Common Name: Chrozophoroside A1
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H44O9/c1-14-5-7-17-16(25(2,3)33)9-10-26(17,4)20(29)11-15(12-27)6-8-18(14)34-24-23(32)22(31)21(30)19(13-28)35-24/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=ZWKMGRHUOROWGL-RMEGUXBZSA-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) | 51.6 |
| 2 (CH) | 73.5 |
| 3 (CH) | 129.6 |
| 4 (C) | 140.2 |
| 5 (CH2) | 32.5 |
| 6 (CH2) | 32.2 |
| 7 (CH) | 81.7 |
| 8 (C) | 149.8 |
| 9 (CH2) | 34.1 |
| 10 (CH2) | 29 |
| 11 (CH) | 42.1 |
| 12 (CH) | 59.9 |
| 13 (CH2) | 21.5 |
| 14 (CH2) | 40.9 |
| 15 (CH3) | 16.4 |
| 16 (CH2) | 59.8 |
| 17 (CH2) | 110.5 |
| 18 (C) | 72.6 |
| 19 (CH3) | 25.5 |
| 20 (CH3) | 32.1 |
| 1' (CH) | 103.1 |
| 2' (CH) | 75.3 |
| 3' (CH) | 78.6 |
| 4' (CH) | 71.9 |
| 5' (CH) | 78.2 |
| 6' (CH2) | 63 |
