Spektraris NMR
(+)-7a-acetoxy-Bacchotricuneatin D
Common Name: (+)-7a-acetoxy-Bacchotricuneatin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O4/c1-15-19(26-16(2)24)12-22(4)18(13-23)6-5-7-20(22)21(15,3)10-8-17-9-11-25-14-17/h6,9,11,14-15,19-20,23H,5,7-8,10,12-13H2,1-4H3/t15-,19-,20-,21+,22+/m1/s1
InChIKey: InChIKey=LAJGASBCGGWVNQ-IZJVMPCUSA-N
Formula: C22H32O4
Molecular Weight: 360.487914
Exact Mass: 360.23006
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Monti, H., Tiliacos, N., Faure, R. Phytochemistry (1996) 42, 1653-6
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) | 17.9 |
| 2 (CH2) | 26.4 |
| 3 (CH) | 121.9 |
| 4 (C) | 148 |
| 5 (C) | 37 |
| 6 (CH2) | 39.3 |
| 7 (CH) | 75.1 |
| 8 (CH) | 38.1 |
| 9 (C) | 38.4 |
| 10 (CH) | 46.1 |
| 11 (CH2) | 39.5 |
| 12 (CH2) | 18.5 |
| 13 (C) | 125.4 |
| 14 (CH) | 111 |
| 15 (CH) | 142.2 |
| 16 (CH) | 138.5 |
| 17 (CH3) | 12.2 |
| 18 (CH2) | 62.8 |
| 19 (CH3) | 23 |
| 20 (CH3) | 19.6 |
| 7a (C) | 70.8 |
| 7b (CH3) | 21.5 |
