Spektraris NMR
Comnostin D
Common Name: Comnostin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H44O5/c1-18-10-13-26(2)22(27(18,3)17-20-16-19(24(31)32)8-9-21(20)30)11-14-28(4)23(26)12-15-29(28,5)25(33-6)34-7/h8-9,16,18,22-23,25,30H,10-15,17H2,1-7H3,(H,31,32)/t18-,22+,23+,26+,27-,28-,29+/m1/s1
InChIKey: InChIKey=NGZCNRIYOUJSLA-HJPBGNKYSA-N
Formula: C29H44O5
Molecular Weight: 472.657759
Exact Mass: 472.318875
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) | 20.5 |
| 2 (CH2) | 34.5 |
| 3 (C) | 52.9 |
| 4 (C) | 47 |
| 5 (CH2) | 35.5 |
| 6 (CH2) | 20.8 |
| 7 (CH) | 52.5 |
| 8 (C) | 38.3 |
| 9 (CH) | 58.9 |
| 10 (CH2) | 41.1 |
| 11 (CH2) | 28.4 |
| 12 (CH) | 37.5 |
| 13 (C) | 42.4 |
| 14 (CH2) | 37.4 |
| 15 (C) | 126.6 |
| 16 (CH) | 135.8 |
| 17 (C) | 122.6 |
| 18 (CH) | 130.3 |
| 19 (CH) | 115.5 |
| 20 (C) | 162.8 |
| 21 (CH3) | 17.8 |
| 22 (CH3) | 16.9 |
| 23 (CH) | 114.9 |
| 24 (CH3) | 60.1 |
| 25 (CH3) | 56.7 |
| 26 (CH3) | 17.9 |
| 27 (CH3) | 18.3 |
| 28 (CH3) | 17.5 |
| 29 (C) | 171.1 |
