Spektraris NMR
(1R*, 2R*, 3E, 7R*, 8S*, 9R*, 11R*, 12S*)-16-O-(3-hydroxy-3-methylglutaryl)-8,9-Epoxydolabell-3-en-2,7,16,18-tetrol
Common Name: (1R*, 2R*, 3E, 7R*, 8S*, 9R*, 11R*, 12S*)-16-O-(3-hydroxy-3-methylglutaryl)-8,9-Epoxydolabell-3-en-2,7,16,18-tetrol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H42O9/c1-23(2,32)16-8-9-25(4)17(16)11-20-26(5,35-20)18(27)7-6-15(10-19(25)28)14-34-22(31)13-24(3,33)12-21(29)30/h10,16-20,27-28,32-33H,6-9,11-14H2,1-5H3,(H,29,30)/b15-10-/t16-,17+,18-,19+,20-,24?,25+,26-/m1/s1
InChIKey: InChIKey=OFJYPZDJODKQBK-YZKMICAWSA-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) | 50.1 |
| 2 (CH) | 73.4 |
| 3 (CH) | 134.2 |
| 4 (C) | 134.3 |
| 5 (CH2) | 34.8 |
| 6 (CH2) | 32.1 |
| 7 (CH) | 81.2 |
| 8 (C) | 64.9 |
| 9 (CH) | 63.8 |
| 10 (CH2) | 33.5 |
| 11 (CH) | 43.4 |
| 12 (CH) | 59.4 |
| 13 (CH2) | 27.4 |
| 14 (CH2) | 40.9 |
| 15 (CH3) | 17.4 |
| 16 (CH2) | 60.6 |
| 17 (CH3) | 11.5 |
| 18 (C) | 72.2 |
| 19 (CH3) | 25.6 |
| 20 (CH3) | 32 |
| 16a (C) | 171.8 |
| 16b (CH2) | 47.1 |
| 16c (C) | 70.3 |
| 16d (CH2) | 48 |
| 16e (C) | 177 |
| 16f (CH3) | 28.3 |
