Spektraris NMR
Adenanthin I
Common Name: Adenanthin I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H34O8/c1-10-13-7-14(27)18-23(6)15(28)8-16(31-11(2)25)22(4,5)19(23)17(29)21(32-12(3)26)24(18,9-13)20(10)30/h13-19,21,27-29H,1,7-9H2,2-6H3/t13-,14+,15+,16+,17-,18+,19-,21+,23+,24+/m1/s1
InChIKey: InChIKey=IOGKWQTYYBQQRM-HYOLUQPMSA-N
Formula: C24H34O8
Molecular Weight: 450.522887
Exact Mass: 450.225368
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) | 77.6 |
| 2 (CH2) | 34 |
| 3 (CH) | 80.1 |
| 4 (C) | 37.4 |
| 5 (CH) | 43.3 |
| 6 (CH) | 69.5 |
| 7 (CH) | 76.4 |
| 8 (C) | 49.4 |
| 9 (CH) | 60.8 |
| 10 (C) | 44.6 |
| 11 (CH) | 67.1 |
| 12 (CH2) | 41.3 |
| 13 (CH) | 38.1 |
| 14 (CH2) | 37.4 |
| 15 (C) | 206.6 |
| 16 (C) | 152.4 |
| 17 (CH2) | 110 |
| 18 (CH3) | 28.4 |
| 19 (CH3) | 24.2 |
| 20 (CH3) | 15.3 |
| 3a (C) | 170.4 |
| 3b (CH3) | 21.6 |
| 7a (C) | 170.4 |
| 7b (CH3) | 20.9 |
