Spektraris NMR
Areptin B acetate
Common Name: Areptin B acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H42O11/c1-8-16(2)27(35)41-22-13-25(40-20(6)34)31(15-38-31)30(14-37-18(4)32)24(39-19(5)33)11-17(3)29(7,26(22)30)23-12-21-9-10-36-28(21)42-23/h8-10,17,21-26,28H,11-15H2,1-7H3/b16-8+/t17-,21-,22-,23+,24+,25+,26-,28+,29-,30-,31-/m1/s1
InChIKey: InChIKey=XRJJZJNGXFSTGN-QEWQEJBISA-N
Formula: C31H42O11
Molecular Weight: 590.659779
Exact Mass: 590.272712
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Malakov, P.Y., Papanov, G.Y. Phytochemistry (1998) 49, 2443-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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 (CH) | 69.4 |
| 2 (CH2) | 34.9 |
| 3 (CH) | 66.4 |
| 4 (C) | 64.1 |
| 5 (C) | 44.7 |
| 6 (CH) | 70.9 |
| 7 (CH2) | 33.5 |
| 8 (CH) | 35.1 |
| 9 (C) | 40.8 |
| 10 (CH) | 52.1 |
| 11 (CH) | 84.4 |
| 12 (CH2) | 31.9 |
| 13 (CH) | 45.6 |
| 14 (CH) | 102.4 |
| 15 (CH) | 146.4 |
| 16 (CH) | 108.2 |
| 17 (CH3) | 16.8 |
| 18 (CH2) | 44.4 |
| 19 (CH2) | 62.2 |
| 20 (CH3) | 15.5 |
| 1a (C) | 166.3 |
| 1b (C) | 128.7 |
| 1c (CH) | 137.2 |
| 1d (CH3) | 14.4 |
| 1ba (CH3) | 12 |
| 3a (C) | 170.2 |
| 3b (CH3) | 20.8 |
| 6a (C) | 169.4 |
| 6b (CH3) | 21 |
| 19a (C) | 169.6 |
| 19b (CH3) | 21.1 |
