Spektraris NMR
Acetylsanadaol
Common Name: Acetylsanadaol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O3/c1-14(2)7-6-8-15(3)19-11-9-16(4)20-12-10-18(13-23)21(19)22(20)25-17(5)24/h7,10,13,15,19-22H,4,6,8-9,11-12H2,1-3,5H3/t15?,19-,20-,21+,22-/m0/s1
InChIKey: InChIKey=SBNUGTOVRAJHEA-FPGBCFPZSA-N
Formula: C22H32O3
Molecular Weight: 344.488509
Exact Mass: 344.235145
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Siamopoulou, P., Bimplakis, A., Iliopoulou, D., Vagias, C., Cos, P., Vanden Berghe, D., Roussis, V. Phytochemistry (2004) 65, 2025-30
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Xenicanes; 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) | 146.9 |
| 2 (CH2) | 37.2 |
| 3 (CH) | 39.5 |
| 4 (C) | 35.9 |
| 5 (CH) | 30.4 |
| 6 (CH) | 143.2 |
| 7 (CH) | 42.3 |
| 8 (CH2) | 32.7 |
| 9 (CH2) | 150.4 |
| 10 (C) | 5.8 |
| 11 (CH) | 24.5 |
| 12 (CH2) | 25.2 |
| 13 (CH2) | 125.1 |
| 14 (CH) | 131 |
| 15 (C) | 17.6 |
| 16 (CH3) | 25.7 |
| 17 (CH3) | 17.4 |
| 18 (CH3) | 72.4 |
| 19 (CH3) | 192.5 |
| 20 (CH3) | 115.4 |
| 18a (C) | 169 |
| 18b (CH3) | 21.3 |
