Spektraris NMR
(1R*,2R*,3E,7E, 11R*,12S*)-2-O-Acetyl-16-O-(3-hydroxy-3-methylglutaryl)-Dolabella-3,7-dien-2,16,18-triol
Common Name: (1R*,2R*,3E,7E, 11R*,12S*)-2-O-Acetyl-16-O-(3-hydroxy-3-methylglutaryl)-Dolabella-3,7-dien-2,16,18-triol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H44O8/c1-18-8-7-9-20(17-35-25(32)16-27(5,34)15-24(30)31)14-23(36-19(2)29)28(6)13-12-21(26(3,4)33)22(28)11-10-18/h8,14,21-23,33-34H,7,9-13,15-17H2,1-6H3,(H,30,31)/b18-8+,20-14-/t21-,22+,23+,27?,28+/m1/s1
InChIKey: InChIKey=XCJIFDKCCHFANV-ZIKJMWGISA-N
Formula: C28H44O8
Molecular Weight: 508.645238
Exact Mass: 508.303618
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) | 50.2 |
| 2 (CH) | 72.5 |
| 3 (CH) | 128.7 |
| 4 (C) | 135.9 |
| 5 (CH2) | 34.9 |
| 6 (CH2) | 24.6 |
| 7 (CH) | 127.7 |
| 8 (C) | 134.2 |
| 9 (CH2) | 37.9 |
| 10 (CH2) | 32.7 |
| 11 (CH) | 39.3 |
| 12 (CH) | 60.2 |
| 13 (CH2) | 25.4 |
| 14 (CH2) | 37.2 |
| 15 (CH3) | 18.3 |
| 16 (CH2) | 62.3 |
| 17 (CH3) | 16.3 |
| 18 (C) | 71.5 |
| 19 (CH3) | 28.9 |
| 20 (CH3) | 30.4 |
| 2a (C) | 170.9 |
| 2b (CH3) | 21.2 |
| 16a (C) | 172.2 |
| 16b (CH2) | 45.7 |
| 16c (C) | 70.4 |
| 16d (CH2) | 46.6 |
| 16e (C) | 177 |
| 16f (CH3) | 27.3 |
