Spektraris NMR
maoecrystal J
Common Name: maoecrystal J
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H32O8/c1-12-15-5-6-16-22-8-7-17(32-14(3)26)21(4,10-30-13(2)25)18(22)20(28)24(29,31-11-22)23(16,9-15)19(12)27/h15-18,20,28-29H,1,5-11H2,2-4H3/t15-,16+,17+,18-,20+,21-,22-,23+,24+/m1/s1
InChIKey: InChIKey=SLUROFCVEYCYDJ-MIWKWXCYSA-N
Formula: C24H32O8
Molecular Weight: 448.507005
Exact Mass: 448.209718
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shen, X.Y., Isogai, A., Furihata, K., Sun, H.D., Suzuki, A. Phytochemistry (1994) 35, 725-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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) | 22.1 |
| 2 (CH2) | 22.6 |
| 3 (CH) | 72.7 |
| 4 (C) | 41.3 |
| 5 (CH) | 57.4 |
| 6 (CH) | 73.2 |
| 7 (C) | 96 |
| 8 (C) | 60.2 |
| 9 (CH) | 49.9 |
| 10 (C) | 36.3 |
| 11 (CH2) | 16.7 |
| 12 (CH2) | 29.4 |
| 13 (CH) | 35 |
| 14 (CH2) | 26.7 |
| 15 (C) | 210.3 |
| 16 (C) | 153.7 |
| 17 (CH2) | 116.7 |
| 18 (CH3) | 21.7 |
| 19 (CH2) | 66.5 |
| 20 (CH2) | 66.4 |
| 3a (C) | 170.8 |
| 3b (CH3) | 21 |
| 19a (C) | 170.3 |
| 19b (CH3) | 20.6 |
