Spektraris NMR
Sinugibberoside B
Common Name: Sinugibberoside B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O6/c1-14-6-7-18-21(5,26-18)9-8-17-16(14)12-20(17,4)22(24)11-10-19(3,27-28-22)13-25-15(2)23/h10-11,16-18,24H,1,6-9,12-13H2,2-5H3/t16-,17-,18-,19-,20-,21-,22-/m0/s1
InChIKey: InChIKey=UMAFMVJKBJNJKP-CPDXTSBQSA-N
Formula: C22H32O6
Molecular Weight: 392.486723
Exact Mass: 392.219889
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chen, S.P., Ahmed, A.F., Dai, C.F., Lu, C.K., Hu, W.P., Wang, J.J., Sheu, J.H. Tetrahedron (2006) 62, 6802-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Xeniaphyllanes; 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) | 43.2 |
| 2 (CH2) | 28.6 |
| 3 (CH2) | 38.6 |
| 4 (C) | 59.6 |
| 5 (CH) | 63.9 |
| 6 (CH2) | 30.1 |
| 7 (CH2) | 29.4 |
| 8 (C) | 151.3 |
| 9 (CH) | 48.2 |
| 10 (CH2) | 31.9 |
| 11 (C) | 41.5 |
| 12 (C) | 99.2 |
| 13 (CH) | 127.2 |
| 14 (CH) | 131.3 |
| 15 (C) | 78 |
| 16 (CH3) | 19.8 |
| 17 (CH2) | 64.6 |
| 18 (CH3) | 15.6 |
| 19 (CH2) | 113.7 |
| 20 (CH3) | 17.1 |
| 17a (C) | 170.7 |
| 17b (CH3) | 20.8 |
