Spektraris NMR
(1R*, 2R*, 3E, 11R*, 12S*)-2-O-Acetyl-16-O-(3-hy-droxy-3-methylglutaryl)-2,16,18-trihydroxydolabella-3,8(17)-dien-7-one
Common Name: (1R*, 2R*, 3E, 11R*, 12S*)-2-O-Acetyl-16-O-(3-hy-droxy-3-methylglutaryl)-2,16,18-trihydroxydolabella-3,8(17)-dien-7-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H42O9/c1-17-7-9-21-20(26(3,4)34)11-12-28(21,6)23(37-18(2)29)13-19(8-10-22(17)30)16-36-25(33)15-27(5,35)14-24(31)32/h13,20-21,23,34-35H,1,7-12,14-16H2,2-6H3,(H,31,32)/b19-13-/t20-,21+,23+,27?,28+/m1/s1
InChIKey: InChIKey=UEGOATROGDUXGQ-CHYFFVMWSA-N
Formula: C28H42O9
Molecular Weight: 522.628761
Exact Mass: 522.282883
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) | 49.4 |
| 2 (CH) | 76.2 |
| 3 (CH) | 126.9 |
| 4 (C) | 137.9 |
| 5 (CH2) | 28.6 |
| 6 (CH2) | 34.6 |
| 7 (C) | 205.8 |
| 8 (C) | 150.5 |
| 9 (CH2) | 34.8 |
| 10 (CH2) | 31.8 |
| 11 (CH) | 41.5 |
| 12 (CH) | 59.9 |
| 13 (CH2) | 27.3 |
| 14 (CH2) | 40.8 |
| 15 (CH3) | 16.2 |
| 16 (CH2) | 61.4 |
| 17 (CH2) | 126.8 |
| 18 (C) | 71.6 |
| 19 (CH3) | 26.7 |
| 20 (CH3) | 31.9 |
| 2a (C) | 170.3 |
| 2b (CH3) | 21 |
| 16a (C) | 171.7 |
| 16b (CH2) | 46.5 |
| 16c (C) | 70.1 |
| 16d (CH2) | 47 |
| 16e (C) | 175.3 |
| 16f (CH3) | 28.1 |
