Spektraris NMR
Xindongnin A
Common Name: Xindongnin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H32O7/c1-11-14-9-15(27)18-23(6)8-7-16(30-12(2)25)22(4,5)19(23)17(28)21(31-13(3)26)24(18,10-14)20(11)29/h14-16,18-19,21,27H,1,7-10H2,2-6H3/t14-,15+,16+,18+,19-,21+,23+,24+/m1/s1
InChIKey: InChIKey=CSRIDJYCMMMNHL-NHDYIFQQSA-N
Formula: C24H32O7
Molecular Weight: 432.5076
Exact Mass: 432.214803
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Zhao, Q.S., Lin, Z.W., Jiang, B., Wang, J., Sun, H.D. Phytochemistry (1999) 50, 123-6
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) | 35.5 |
| 2 (CH2) | 22.6 |
| 3 (CH) | 77.2 |
| 4 (C) | 35.8 |
| 5 (CH) | 54.8 |
| 6 (C) | 202.2 |
| 7 (CH) | 80.4 |
| 8 (C) | 53.4 |
| 9 (CH) | 59.1 |
| 10 (C) | 44.8 |
| 11 (CH) | 64.7 |
| 12 (CH2) | 40.7 |
| 13 (CH) | 36.8 |
| 14 (CH2) | 34.4 |
| 15 (C) | 206.5 |
| 16 (C) | 151.1 |
| 17 (CH2) | 112.6 |
| 18 (CH3) | 27 |
| 19 (CH3) | 22 |
| 20 (CH3) | 18.5 |
| 3a (C) | 169.7 |
| 3b (CH3) | 20.9 |
| 7a (C) | 169.6 |
| 7b (CH3) | 20.8 |
