Spektraris NMR
Andrograpanin acetate
Common Name: Andrograpanin acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O4/c1-15-6-9-19-21(3,14-26-16(2)23)11-5-12-22(19,4)18(15)8-7-17-10-13-25-20(17)24/h10,18-19H,1,5-9,11-14H2,2-4H3/t18-,19-,21+,22+/m1/s1
InChIKey: InChIKey=IJVIKNXNFILSIN-WKDRNLAYSA-N
Formula: C22H32O4
Molecular Weight: 360.487914
Exact Mass: 360.23006
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cangiano T., DellaGreca M., Fiorentino A., Isidori M., Monaco P., Zarrelli A. Phytochemistry (2001) 56, 469-73
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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 (CH2) | 38.9 |
| 2 (CH2) | 18.9 |
| 3 (CH2) | 36.2 |
| 4 (C) | 39.5 |
| 5 (CH) | 56.2 |
| 6 (CH2) | 24.5 |
| 7 (CH2) | 38.4 |
| 8 (C) | 147.2 |
| 9 (CH) | 56.4 |
| 10 (C) | 37.3 |
| 11 (CH2) | 21.7 |
| 12 (CH2) | 24.4 |
| 13 (C) | 134.8 |
| 14 (CH) | 142.7 |
| 15 (CH2) | 70.1 |
| 16 (C) | 174.3 |
| 17 (CH2) | 107 |
| 18 (CH3) | 27.5 |
| 19 (CH2) | 66.7 |
| 20 (CH3) | 15.2 |
| 19a (C) | 171.3 |
| 19b (CH3) | 20.9 |
