Spektraris NMR
Bielschowskysin
Common Name: Bielschowskysin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H26O9/c1-8-6-20-15-14-12(7-19(15,4)26)29-18(25)21(14,20)13(28-10(3)23)5-11-9(2)17(24)30-16(11)22(8,27)31-20/h6,11-17,24,26-27H,2,5,7H2,1,3-4H3/t11-,12-,13-,14-,15-,16-,17-,19-,20-,21+,22-/m0/s1
InChIKey: InChIKey=BILSMHBWRCOPGJ-KULPNBMQSA-N
Formula: C22H26O9
Molecular Weight: 434.437294
Exact Mass: 434.157682
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Marrero, J., Rodriguez, A.D., Baran, P., Raptis, R.G., Sanchez, J.A., Ortega-Barria, E., Capson, T.L. Org Lett (2004) 6, 1661-4
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Bielschowsysanes; 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) | 40.8 |
| 2 (CH) | 86.2 |
| 3 (C) | 110.7 |
| 4 (C) | 144.3 |
| 5 (CH) | 126.3 |
| 6 (C) | 89.1 |
| 7 (CH) | 61.6 |
| 8 (C) | 81.7 |
| 9 (CH2) | 49.7 |
| 10 (CH) | 84.8 |
| 11 (CH) | 43 |
| 12 (C) | 59.2 |
| 13 (CH) | 72.1 |
| 14 (CH2) | 34 |
| 15 (C) | 155.1 |
| 16 (CH) | 98.6 |
| 17 (CH2) | 109.3 |
| 18 (CH3) | 13.3 |
| 19 (CH3) | 22.9 |
| 20 (C) | 177.2 |
| 13a (C) | 172.1 |
| 13b (CH3) | 20.9 |
