Spektraris NMR
Comnostin B
Common Name: Comnostin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H38O4/c1-17-8-12-25(3)21(10-13-27(5)22(25)9-11-24(27,2)16-28)26(17,4)15-19-14-18(23(30)31)6-7-20(19)29/h6-7,14,16-17,21-22,29H,8-13,15H2,1-5H3,(H,30,31)/t17-,21+,22+,24+,25+,26-,27-/m1/s1
InChIKey: InChIKey=JBBYKAGPJLHVPI-WVSCOBNZSA-N
Formula: C27H38O4
Molecular Weight: 426.589238
Exact Mass: 426.27701
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Jaki, B., Orjala, J., Heilmann, J., Linden, A., Vogler, B., Sticher, O. J Nat Prod (2000) 63, 339-43
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Miscellanea; 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) | 20.4 |
| 2 (CH2) | 43.2 |
| 3 (C) | 59.1 |
| 4 (C) | 46.9 |
| 5 (CH2) | 36.9 |
| 6 (CH2) | 20.4 |
| 7 (CH) | 51.8 |
| 8 (C) | 38 |
| 9 (CH) | 58.8 |
| 10 (CH2) | 40.4 |
| 11 (CH2) | 29 |
| 12 (CH) | 37 |
| 13 (C) | 42 |
| 14 (CH2) | 37 |
| 15 (C) | 126.1 |
| 16 (CH) | 135.4 |
| 17 (C) | 121.9 |
| 18 (CH) | 130.1 |
| 19 (CH) | 115.7 |
| 20 (C) | 161.5 |
| 21 (CH3) | 20.2 |
| 22 (CH3) | 19.7 |
| 23 (CH) | 205.2 |
| 24 (CH3) | 16.6 |
| 25 (CH3) | 17.8 |
| 26 (CH3) | 18.3 |
| 27 (C) | 167.8 |
