Spektraris NMR
(1R*,2R*,3E, 7E,11R*, 12S*)-2,18-O-Diacetyl-16-O-(3-hydroxy-3-methylglutaryl)-dolabella-3,7-dien-2,16,18-triol
Common Name: (1R*,2R*,3E, 7E,11R*, 12S*)-2,18-O-Diacetyl-16-O-(3-hydroxy-3-methylglutaryl)-dolabella-3,7-dien-2,16,18-triol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O9/c1-19-9-8-10-22(18-37-27(35)17-29(6,36)16-26(33)34)15-25(38-20(2)31)30(7)14-13-23(24(30)12-11-19)28(4,5)39-21(3)32/h9,15,23-25,36H,8,10-14,16-18H2,1-7H3,(H,33,34)/b19-9+,22-15-/t23-,24+,25+,29?,30+/m1/s1
InChIKey: InChIKey=ATABDKOENHIVSH-RJKNOGCCSA-N
Formula: C30H46O9
Molecular Weight: 550.681996
Exact Mass: 550.314183
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) | 49.8 |
| 2 (CH) | 72.6 |
| 3 (CH) | 127.8 |
| 4 (C) | 136.5 |
| 5 (CH2) | 34.5 |
| 6 (CH2) | 24.7 |
| 7 (CH) | 126.9 |
| 8 (C) | 134.8 |
| 9 (CH2) | 37.9 |
| 10 (CH2) | 31.6 |
| 11 (CH) | 40.5 |
| 12 (CH) | 58.7 |
| 13 (CH2) | 25.9 |
| 14 (CH2) | 37.2 |
| 15 (CH3) | 18.3 |
| 16 (CH2) | 61.7 |
| 17 (CH3) | 16.2 |
| 18 (C) | 84.8 |
| 19 (CH3) | 23.3 |
| 20 (CH3) | 26.1 |
| 2a (C) | 170.6 |
| 2b (CH3) | 21.2 |
| 16a (C) | 171.8 |
| 16b (CH2) | 45.5 |
| 16c (C) | 70.3 |
| 16d (CH2) | 46.7 |
| 16e (C) | 177.5 |
| 16f (CH3) | 27 |
| 18a (C) | 170.7 |
| 18b (CH3) | 22.7 |
