Spektraris NMR
(1R*, 2R*, 3E, 7E, 11R*, 12S*)-16-O-(3-hydroxy-3-methylglutaryl)-8,9-Epoxydolabella-3,7-dien-2,16,18-triol
Common Name: (1R*, 2R*, 3E, 7E, 11R*, 12S*)-16-O-(3-hydroxy-3-methylglutaryl)-8,9-Epoxydolabella-3,7-dien-2,16,18-triol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H34O3/c1-14-6-5-7-15(13-21)12-18(22)20(4)11-10-16(19(2,3)23)17(20)9-8-14/h6,12,16-18,21-23H,5,7-11,13H2,1-4H3/b14-6+,15-12-/t16-,17+,18+,20+/m1/s1
InChIKey: InChIKey=OQMGHKVLTMBDTJ-YXPBXZAWSA-N
Formula: C20H34O3
Molecular Weight: 322.482918
Exact Mass: 322.250795
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Mohamed, K.M., Ohtani, K., Kasai, R., Yamasaki, K. Phytochemistry (1995) 39, 151-61
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Dolabellanes; 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 (C) | 50.9 |
| 2 (CH) | 69.7 |
| 3 (CH) | 131.2 |
| 4 (C) | 137.9 |
| 5 (CH2) | 36.8 |
| 6 (CH2) | 25.1 |
| 7 (CH) | 127 |
| 8 (C) | 133.7 |
| 9 (CH2) | 37.9 |
| 10 (CH2) | 33.2 |
| 11 (CH) | 39.5 |
| 12 (CH) | 60.3 |
| 13 (CH2) | 25.4 |
| 14 (CH2) | 37.1 |
| 15 (CH3) | 17.3 |
| 16 (CH2) | 61.1 |
| 17 (CH3) | 16.5 |
| 18 (C) | 72.2 |
| 19 (CH3) | 29.4 |
| 20 (CH3) | 30.1 |
