Spektraris NMR
Dulcinol/scopadulciol
Common Name: Dulcinol/scopadulciol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H38O4/c1-24-12-13-27(16-24)19(15-21(24)29)14-20(31-23(30)18-8-5-4-6-9-18)22-25(2,17-28)10-7-11-26(22,27)3/h4-6,8-9,19-22,28-29H,7,10-17H2,1-3H3/t19?,20-,21+,22+,24+,25+,26+,27+/m1/s1
InChIKey: InChIKey=GRHQTTJLYWYUIY-OKQQPQPNSA-N
Formula: C27H38O4
Molecular Weight: 426.589238
Exact Mass: 426.27701
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) | 34.4 |
| 2 (CH2) | 18.4 |
| 3 (CH2) | 38 |
| 4 (C) | 38.7 |
| 5 (CH) | 43.5 |
| 6 (CH) | 70.8 |
| 7 (CH2) | 35.6 |
| 8 (CH) | 29.6 |
| 9 (C) | 53.5 |
| 10 (C) | 39 |
| 11 (CH2) | 38.1 |
| 12 (C) | 43.8 |
| 13 (CH) | 75.1 |
| 14 (CH2) | 36.6 |
| 15 (CH2) | 36.5 |
| 16 (CH2) | 22.6 |
| 17 (CH3) | 24.2 |
| 18 (CH2) | 71.7 |
| 19 (CH3) | 20.7 |
| 20 (CH3) | 22.5 |
| 6a (C) | 166.7 |
| 6b (C) | 131.1 |
| 6c (CH) | 129.9 |
| 6d (CH) | 128.6 |
| 6e (CH) | 133 |
| 6f (CH) | 128.6 |
| 6g (CH) | 129.9 |
