Spektraris NMR
Areptin B
Common Name: Areptin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H40O10/c1-7-15(2)25(33)38-20-12-21(32)29(14-36-29)28(13-35-17(4)30)23(37-18(5)31)10-16(3)27(6,24(20)28)22-11-19-8-9-34-26(19)39-22/h7-9,16,19-24,26,32H,10-14H2,1-6H3/b15-7+/t16-,19-,20-,21+,22+,23+,24-,26+,27-,28-,29-/m1/s1
InChIKey: InChIKey=VHMXRHYBQSWLTN-JHNLQVKESA-N
Formula: C29H40O10
Molecular Weight: 548.62302
Exact Mass: 548.262148
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) | 70.2 |
| 2 (CH2) | 34 |
| 3 (CH) | 66.7 |
| 4 (C) | 64 |
| 5 (C) | 44.7 |
| 6 (CH) | 71.3 |
| 7 (CH2) | 33.7 |
| 8 (CH) | 34.3 |
| 9 (C) | 41 |
| 10 (CH) | 52.2 |
| 11 (CH) | 83.9 |
| 12 (CH2) | 32.6 |
| 13 (CH) | 45.7 |
| 14 (CH) | 102 |
| 15 (CH) | 146.2 |
| 16 (CH) | 107.1 |
| 17 (CH3) | 17.3 |
| 18 (CH2) | 43.6 |
| 19 (CH2) | 61.6 |
| 20 (CH3) | 14.8 |
| 1a (C) | 166.3 |
| 1b (C) | 128.8 |
| 1c (CH) | 137.4 |
| 1d (CH3) | 14.4 |
| 1ba (CH3) | 12.1 |
| 6a (C) | 170.2 |
| 6b (CH3) | 20 |
| 19a (C) | 169.8 |
| 19b (CH3) | 21 |
