Spektraris NMR
Isodoglutinosin A
Common Name: Isodoglutinosin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O6/c1-10-12-6-7-13-21(5)14(24)8-9-20(3,4)16(21)15(28-11(2)23)19(27)22(13,17(10)25)18(12)26/h12-16,18,24,26H,1,6-9H2,2-5H3/t12-,13-,14-,15-,16+,18+,21+,22-/m0/s1
InChIKey: InChIKey=MFCOHVCBVHYCHP-UVSRJEDCSA-N
Formula: C22H30O6
Molecular Weight: 390.470842
Exact Mass: 390.204239
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Huang, H., Chen, Y.P., Zhang, H.J., Lin, Z.W., Zhao, S.X., Wang, M.S., Fujita, T., Sun, H.D. Phytochemistry (1997) 45, 559-62
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 (CH) | 78.8 |
| 2 (CH2) | 30.1 |
| 3 (CH2) | 39.7 |
| 4 (C) | 34.2 |
| 5 (CH) | 53.7 |
| 6 (CH) | 76.1 |
| 7 (C) | 199.3 |
| 8 (C) | 70.9 |
| 9 (CH) | 57 |
| 10 (C) | 47 |
| 11 (CH2) | 19.5 |
| 12 (CH2) | 32.3 |
| 13 (CH) | 47.1 |
| 14 (CH) | 74.7 |
| 15 (C) | 202.1 |
| 16 (C) | 149 |
| 17 (CH2) | 116.9 |
| 18 (CH3) | 35 |
| 19 (CH3) | 22.3 |
| 20 (CH3) | 15.1 |
| 6a (C) | 171 |
| 6b (CH3) | 21 |
