Spektraris NMR
Comnostin C
Common Name: Comnostin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H38O5/c1-16-8-11-24(2)20(9-12-26(4)21(24)10-13-27(26,5)23(31)32)25(16,3)15-18-14-17(22(29)30)6-7-19(18)28/h6-7,14,16,20-21,28H,8-13,15H2,1-5H3,(H,29,30)(H,31,32)/t16-,20+,21+,24+,25-,26-,27+/m1/s1
InChIKey: InChIKey=VEXFNNZBZUDQNY-CFSWCTPNSA-N
Formula: C27H38O5
Molecular Weight: 442.588643
Exact Mass: 442.271924
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 |
| 2 (CH2) | 32.7 |
| 3 (C) | 57.7 |
| 4 (C) | 46.6 |
| 5 (CH2) | 34.4 |
| 6 (CH2) | 20.9 |
| 7 (CH) | 52.3 |
| 8 (C) | 38.3 |
| 9 (CH) | 58.3 |
| 10 (CH2) | 40.8 |
| 11 (CH2) | 28.4 |
| 12 (CH) | 37.3 |
| 13 (C) | 42.4 |
| 14 (CH2) | 37.4 |
| 15 (C) | 126.6 |
| 16 (CH) | 135.9 |
| 17 (C) | 121.8 |
| 18 (CH) | 130.4 |
| 19 (CH) | 115.6 |
| 20 (C) | 162.5 |
| 21 (CH3) | 17.2 |
| 22 (CH3) | 23.7 |
| 23 (C) | 181.4 |
| 24 (CH3) | 19.3 |
| 25 (CH3) | 18.3 |
| 26 (CH3) | 17.9 |
| 27 (C) | 170.5 |
