Spektraris NMR
Adenanthin E
Common Name: Adenanthin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H36O7/c1-11-14-7-15(27)20-23(6)16(22(4,5)18(9-17(23)28)30-12(2)25)8-19(31-13(3)26)24(20,10-14)21(11)29/h14-21,27-29H,1,7-10H2,2-6H3/t14-,15+,16-,17+,18+,19+,20+,21-,23+,24+/m1/s1
InChIKey: InChIKey=RAIAYDWFSUQOBH-KNGCFTRFSA-N
Formula: C24H36O7
Molecular Weight: 436.539363
Exact Mass: 436.246104
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Jiang, B., Yang, H., Li, M.L., Hou, A.J., Han, Q.B., Wang, S.J., Li, S.H., Sun, H.D. J Nat Prod (2002) 65, 1111-6
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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) | 76.7 |
| 2 (CH2) | 34.4 |
| 3 (CH) | 78.9 |
| 4 (C) | 36.6 |
| 5 (CH) | 40.7 |
| 6 (CH2) | 25 |
| 7 (CH) | 79.4 |
| 8 (C) | 48.6 |
| 9 (CH) | 53.9 |
| 10 (C) | 43.8 |
| 11 (CH) | 66.1 |
| 12 (CH2) | 43 |
| 13 (CH) | 39.8 |
| 14 (CH2) | 36 |
| 15 (CH) | 81 |
| 16 (C) | 159.4 |
| 17 (CH2) | 106 |
| 18 (CH3) | 27.7 |
| 19 (CH3) | 21.7 |
| 20 (CH3) | 13.9 |
| 3a (C) | 170.9 |
| 3b (CH3) | 21.8 |
| 7a (C) | 170.5 |
| 7b (CH3) | 21 |
