Spektraris NMR
Aulacocarpin D
Common Name: Aulacocarpin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H36O3/c1-15-8-11-19-21(2,3)12-7-13-22(19,4)17(15)10-9-16-18(23-5)14-25-20(16)24-6/h9,17-20H,1,7-8,10-14H2,2-6H3/b16-9+/t17-,18?,19-,20?,22+/m0/s1
InChIKey: InChIKey=YAYUOVJSFHPMSY-OAZSODMJSA-N
Formula: C22H36O3
Molecular Weight: 348.520272
Exact Mass: 348.266445
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sob, S.V.T., Tane, P., Ngadjui, B.T., Connolly, J.D., Ma, D. Tetrahedron (2007) 63, 8993-8
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) | 39.5 |
| 2 (CH2) | 19.7 |
| 3 (CH2) | 42.5 |
| 4 (C) | 33.9 |
| 5 (CH) | 55.3 |
| 6 (CH2) | 24.6 |
| 7 (CH2) | 38.4 |
| 8 (C) | 148.6 |
| 9 (CH) | 55.3 |
| 10 (C) | 39.9 |
| 11 (CH2) | 24.5 |
| 12 (CH) | 134.7 |
| 13 (C) | 138.5 |
| 14 (CH) | 78.2 |
| 15 (CH2) | 70.7 |
| 16 (CH) | 104.8 |
| 17 (CH2) | 108.1 |
| 18 (CH3) | 34 |
| 19 (CH3) | 22.1 |
| 20 (CH3) | 14.7 |
| 14a (CH3) | 56.9 |
| 16a (CH3) | 55.7 |
