Spektraris NMR
maoecrystal J
Common Name: maoecrystal J
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H34O9/c1-13-17-6-7-18-24-9-8-19(34-15(3)28)23(5,11-32-14(2)27)20(24)22(31)26(33-12-24,35-16(4)29)25(18,10-17)21(13)30/h17-20,22,31H,1,6-12H2,2-5H3/t17-,18+,19+,20-,22+,23-,24-,25+,26-/m1/s1
InChIKey: InChIKey=DUAYYXIFFNFGLQ-LLJFWLTQSA-N
Formula: C26H34O9
Molecular Weight: 490.543763
Exact Mass: 490.220283
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) | 22.5 |
| 2 (CH2) | 23.3 |
| 3 (CH) | 72.2 |
| 4 (C) | 41.4 |
| 5 (CH) | 56.4 |
| 6 (CH) | 67.6 |
| 7 (C) | 101.3 |
| 8 (C) | 60.3 |
| 9 (CH) | 50.1 |
| 10 (C) | 36.1 |
| 11 (CH2) | 16.5 |
| 12 (CH2) | 29.3 |
| 13 (CH) | 34.6 |
| 14 (CH2) | 26.1 |
| 15 (C) | 208.5 |
| 16 (C) | 152.8 |
| 17 (CH2) | 118.3 |
| 18 (CH3) | 21.9 |
| 19 (CH2) | 66.8 |
| 20 (CH2) | 67.3 |
| 3a (C) | 170.6 |
| 3b (CH3) | 20.9 |
| 7a (C) | 170.2 |
| 7b (CH3) | 20.6 |
| 19a (C) | 168.2 |
| 19b (CH3) | 21.9 |
