Spektraris NMR
(1R*,2R*,3E,7R*,9R*,11R*,12S*)-16-O-(3-hydroxy-3-methylglutaryl)-Dolabella-3,8(17)-dien-2,7,9,16,18-pentol
Common Name: (1R*,2R*,3E,7R*,9R*,11R*,12S*)-16-O-(3-hydroxy-3-methylglutaryl)-Dolabella-3,8(17)-dien-2,7,9,16,18-pentol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H42O9/c1-15-19(27)7-6-16(14-35-23(32)13-25(4,34)12-22(30)31)10-21(29)26(5)9-8-17(24(2,3)33)18(26)11-20(15)28/h10,17-21,27-29,33-34H,1,6-9,11-14H2,2-5H3,(H,30,31)/b16-10-/t17-,18+,19-,20-,21+,25?,26+/m1/s1
InChIKey: InChIKey=WXIOZXZWVKCFJU-OYQGYDTOSA-N
Formula: C26H42O9
Molecular Weight: 498.607289
Exact Mass: 498.282883
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) | 51.6 |
| 2 (CH) | 73.6 |
| 3 (CH) | 132.8 |
| 4 (C) | 134.9 |
| 5 (CH2) | 31.8 |
| 6 (CH2) | 34.5 |
| 7 (CH) | 72.6 |
| 8 (C) | 155.4 |
| 9 (CH) | 72.2 |
| 10 (CH2) | 38.7 |
| 11 (CH) | 41 |
| 12 (CH) | 59.9 |
| 13 (CH2) | 27.9 |
| 14 (CH2) | 41.1 |
| 15 (CH3) | 16.6 |
| 16 (CH2) | 62.6 |
| 17 (CH2) | 110.4 |
| 18 (C) | 73.1 |
| 19 (CH3) | 25.3 |
| 20 (CH3) | 32.7 |
| 16a (C) | 171.9 |
| 16b (CH2) | 47.1 |
| 16c (C) | 70.3 |
| 16d (CH2) | 47.8 |
| 16e (C) | 180.6 |
| 16f (CH3) | 28.3 |
