Spektraris NMR
DivinatorinB
Common Name: DivinatorinB
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H30O5/c1-20(9-6-14-8-11-26-13-14)15(12-22)7-10-21(2)16(19(24)25-3)4-5-17(23)18(20)21/h4,8,11,13,15,17-18,22-23H,5-7,9-10,12H2,1-3H3/t15-,17-,18+,20-,21-/m0/s1
InChIKey: InChIKey=ZCYNGZQSKJQXRJ-WJLOEWIOSA-N
Formula: C21H30O5
Molecular Weight: 362.460701
Exact Mass: 362.209324
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Bigham A.K., Munro T.A., Rizzacasa M.A., Robins-Browne R.M. J Nat Prod (2003) 66, 1242-4
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) | 64.3 |
| 2 (CH2) | 38 |
| 3 (CH) | 133.2 |
| 4 (C) | 141.4 |
| 5 (C) | 37.1 |
| 6 (CH2) | 38 |
| 7 (CH2) | 21.9 |
| 8 (CH) | 44.8 |
| 9 (C) | 39.1 |
| 10 (CH) | 48.7 |
| 11 (CH2) | 38.8 |
| 12 (CH2) | 18.2 |
| 13 (C) | 124.9 |
| 14 (CH) | 110.8 |
| 15 (CH) | 142.8 |
| 16 (CH) | 138.4 |
| 17 (CH2) | 63.9 |
| 18 (C) | 167.3 |
| 19 (CH3) | 21.4 |
| 20 (CH3) | 20.9 |
| 18a (CH3) | 51.3 |
