Spektraris NMR
17-O-Isoprenyldictyoceratin-C
Common Name: 17-O-Isoprenyldictyoceratin-C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H42O3/c1-19(2)14-16-31-24-12-11-22(26(29)30-7)17-23(24)18-28(6)21(4)13-15-27(5)20(3)9-8-10-25(27)28/h11,14,21,25H,3,8-10,12-13,15-18H2,1-2,4-7H3/t21-,25-,27+,28+/m0/s1
InChIKey: InChIKey=XXSZAOOMAQURAQ-JCXKINOLSA-N
Formula: C28H42O3
Molecular Weight: 426.632332
Exact Mass: 426.313395
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cao, S., Gao, Z., Thomas, S.J., Hecht, S.M., Lazo, J.S., Kingston, D.G. J Nat Prod (2004) 67, 1716-8
Species:
Notes: Family : Terpenoids, Type : Merosesquiterpenoids, Group : Friedodrimanes; 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) | 23.2 |
| 2 (CH2) | 28 |
| 3 (CH2) | 33.1 |
| 4 (C) | 160.2 |
| 5 (C) | 40.2 |
| 6 (CH2) | 36.6 |
| 7 (CH2) | 27.8 |
| 8 (CH) | 36.3 |
| 9 (C) | 42.1 |
| 10 (CH) | 48.1 |
| 11 (CH2) | 102.7 |
| 12 (CH3) | 20.6 |
| 13 (CH3) | 17.7 |
| 14 (CH3) | 17.8 |
| 15 (CH2) | 36.7 |
| 1' (C) | 127.5 |
| 2' (C) | 161.6 |
| 3' (CH2) | 110.7 |
| 4' (CH) | 134.2 |
| 5' (C) | 121.2 |
| 6' (CH2) | 134.2 |
| 2'a (CH2) | 65.2 |
| 2'b (CH) | 119.6 |
| 2'c (C) | 137.2 |
| 2'd (CH3) | 25.8 |
| 2'e (CH3) | 18.4 |
| 5'a (C) | 167.1 |
| 5'b (CH3) | 51.7 |
