Spektraris NMR
iso-Dulcinol
Common Name: iso-Dulcinol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H36O4/c1-24(2)20(28)10-11-26(4)22(24)19(31-23(30)17-8-6-5-7-9-17)14-18-15-21(29)25(3)12-13-27(18,26)16-25/h5-9,18-20,22,28H,10-16H2,1-4H3/t18?,19-,20+,22+,25+,26+,27+/m1/s1
InChIKey: InChIKey=GHPIXCFNRDYEIY-SWDFCRLMSA-N
Formula: C27H36O4
Molecular Weight: 424.573356
Exact Mass: 424.26136
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ahsan, M., Islam, S.K., Gray, A.I., Stimson, W.H. J Nat Prod (2003) 66, 958-61
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) | 32.4 |
| 2 (CH2) | 27.5 |
| 3 (CH) | 79.2 |
| 4 (C) | 39.8 |
| 5 (CH) | 50.4 |
| 6 (CH) | 70.3 |
| 7 (CH2) | 35.9 |
| 8 (CH) | 35.8 |
| 9 (C) | 53.1 |
| 10 (C) | 39.2 |
| 11 (CH2) | 45.6 |
| 12 (C) | 52.5 |
| 13 (C) | 213.5 |
| 14 (CH2) | 42.7 |
| 15 (CH2) | 36.8 |
| 16 (CH2) | 23.9 |
| 17 (CH3) | 19.9 |
| 18 (CH3) | 28.5 |
| 19 (CH3) | 16.8 |
| 20 (CH3) | 21.4 |
| 6a (C) | 166.3 |
| 6b (C) | 130.8 |
| 6c (CH) | 129.8 |
| 6d (CH) | 128.8 |
| 6e (CH) | 133.3 |
| 6f (CH) | 128.8 |
| 6g (CH) | 129.8 |
