Spektraris NMR
Dulcidiol
Common Name: Dulcidiol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H36O4/c1-19(13-16-28)11-12-22-20(2)17-23(31-25(30)21-9-6-5-7-10-21)24-26(3,18-29)14-8-15-27(22,24)4/h5-7,9-10,13,16,22-24,29H,2,8,11-12,14-15,17-18H2,1,3-4H3/b19-13+/t22-,23-,24+,26+,27-/m1/s1
InChIKey: InChIKey=IQFDAOLIRBRVJU-BRNZMSAPSA-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 : Labdanes; 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) | 38.6 |
| 2 (CH2) | 18.7 |
| 3 (CH2) | 38.3 |
| 4 (C) | 38.7 |
| 5 (CH) | 41.5 |
| 6 (CH) | 71.6 |
| 7 (CH2) | 37.1 |
| 8 (C) | 144 |
| 9 (CH) | 57.3 |
| 10 (C) | 38.9 |
| 11 (CH2) | 23.9 |
| 12 (CH2) | 39.4 |
| 13 (C) | 164.6 |
| 14 (CH) | 127.5 |
| 15 (CH) | 191.5 |
| 16 (CH3) | 18.1 |
| 17 (CH2) | 113.9 |
| 18 (CH2) | 71.4 |
| 19 (CH3) | 20.5 |
| 20 (CH3) | 26.1 |
| 6a (C) | 166.4 |
| 6b (C) | 131 |
| 6c (CH) | 129.9 |
| 6d (CH) | 128.7 |
| 6e (CH) | 133.1 |
| 6f (CH) | 128.7 |
| 6g (CH) | 129.9 |
