Spektraris NMR
(1R*, 2R*, 3E, 7R*, 11R*, 12S*)-16-O-(3-Hydroxy-3-ethylolutaryl)-dolabella-3,8(17)-dien-2,7,16,18-tetrol
Common Name: (1R*, 2R*, 3E, 7R*, 11R*, 12S*)-16-O-(3-Hydroxy-3-ethylolutaryl)-dolabella-3,8(17)-dien-2,7,16,18-tetrol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H42O8/c1-16-6-8-19-18(24(2,3)32)10-11-26(19,5)21(28)12-17(7-9-20(16)27)15-34-23(31)14-25(4,33)13-22(29)30/h12,18-21,27-28,32-33H,1,6-11,13-15H2,2-5H3,(H,29,30)/b17-12-/t18-,19+,20-,21+,25?,26+/m1/s1
InChIKey: InChIKey=ICNPMMJYCAZGAD-OFLMDDHESA-N
Formula: C26H42O8
Molecular Weight: 482.607884
Exact Mass: 482.287968
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) | 51.5 |
| 2 (CH) | 73.9 |
| 3 (CH) | 132.7 |
| 4 (C) | 134.4 |
| 5 (CH2) | 31.2 |
| 6 (CH2) | 33.7 |
| 7 (CH) | 73.5 |
| 8 (C) | 153 |
| 9 (CH2) | 34.9 |
| 10 (CH2) | 29 |
| 11 (CH) | 42 |
| 12 (CH) | 59.9 |
| 13 (CH2) | 27.5 |
| 14 (CH2) | 40.9 |
| 15 (CH3) | 16.3 |
| 16 (CH2) | 62.7 |
| 17 (CH2) | 108.7 |
| 18 (C) | 72.6 |
| 19 (CH3) | 25.4 |
| 20 (CH3) | 32.3 |
| 16a (C) | 172.2 |
| 16b (CH2) | 47.2 |
| 16c (C) | 70.3 |
| 16d (CH2) | 48.4 |
| 16e (C) | 179.5 |
| 16f (CH3) | 28.3 |
