Spektraris NMR
(1R*,2R*,3E,7R*,9R*,11R*, 12S*)-16-O-(3-hydroxy-3-methylglutaryl)-18-O-Acetyldolabella-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)-18-O-Acetyldolabella-3,8(17)-dien-2,7,9,16,18-pentol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H44O10/c1-16-21(30)8-7-18(15-37-25(35)14-27(5,36)13-24(33)34)11-23(32)28(6)10-9-19(20(28)12-22(16)31)26(3,4)38-17(2)29/h11,19-23,30-32,36H,1,7-10,12-15H2,2-6H3,(H,33,34)/b18-11-/t19-,20+,21-,22-,23+,27?,28+/m1/s1
InChIKey: InChIKey=FRLDVKJGPODRTR-RBJXGLOHSA-N
Formula: C28H44O10
Molecular Weight: 540.644048
Exact Mass: 540.293448
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) | 51.7 |
| 2 (CH) | 73.8 |
| 3 (CH) | 132.6 |
| 4 (C) | 134.9 |
| 5 (CH2) | 30.9 |
| 6 (CH2) | 35.4 |
| 7 (CH) | 72.6 |
| 8 (C) | 156.1 |
| 9 (CH) | 72.1 |
| 10 (CH2) | 38 |
| 11 (CH) | 41.3 |
| 12 (CH) | 56.3 |
| 13 (CH2) | 27.5 |
| 14 (CH2) | 39.7 |
| 15 (CH3) | 17 |
| 16 (CH2) | 61.7 |
| 17 (CH2) | 109 |
| 18 (C) | 85.6 |
| 19 (CH3) | 23.2 |
| 20 (CH3) | 27.1 |
| 16a (C) | 171.9 |
| 16b (CH2) | 47.1 |
| 16c (C) | 70.3 |
| 16d (CH2) | 48.1 |
| 16e (C) | 179 |
| 16f (CH3) | 28.3 |
| 18a (C) | 170.2 |
| 18b (CH3) | 22.6 |
