Spektraris NMR
(1R*,2R*, 3E, 7R*, 9R*, 11R*, 12S*)-2-O-Acetyl-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*)-2-O-Acetyl-16-O-(3-hydroxy-3-methylglutaryl)-dolabella-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(34)14-27(5,36)13-24(32)33)11-23(38-17(2)29)28(6)10-9-19(26(3,4)35)20(28)12-22(16)31/h11,19-23,30-31,35-36H,1,7-10,12-15H2,2-6H3,(H,32,33)/b18-11-/t19-,20+,21-,22-,23+,27?,28+/m1/s1
InChIKey: InChIKey=VBPRRBFPNNAJBG-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) | 49.9 |
| 2 (CH) | 75.4 |
| 3 (CH) | 125.1 |
| 4 (C) | 139.6 |
| 5 (CH2) | 30.7 |
| 6 (CH2) | 34 |
| 7 (CH) | 72.3 |
| 8 (C) | 154.5 |
| 9 (CH) | 71.6 |
| 10 (CH2) | 38.2 |
| 11 (CH) | 40.8 |
| 12 (CH) | 59.4 |
| 13 (CH2) | 27.2 |
| 14 (CH2) | 40.2 |
| 15 (CH3) | 16.8 |
| 16 (CH2) | 62.1 |
| 17 (CH2) | 110.7 |
| 18 (C) | 72.5 |
| 19 (CH3) | 24.9 |
| 20 (CH3) | 32.3 |
| 2a (C) | 170.3 |
| 2b (CH3) | 20.8 |
| 16a (C) | 171.8 |
| 16b (CH2) | 47.1 |
| 16c (C) | 69.8 |
| 16d (CH2) | 48.2 |
| 16e (C) | 179.2 |
| 16f (CH3) | 28 |
