Spektraris NMR
Adenanthin L
Common Name: Adenanthin L
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O6/c1-11(10-23)13-6-14-8-16(26)20-21(3,4)18(28-12(2)24)9-17(27)22(20,5)19(14)15(25)7-13/h8,13,15,17-20,23,25,27H,1,6-7,9-10H2,2-5H3/t13-,15-,17-,18-,19-,20+,22-/m0/s1
InChIKey: InChIKey=KBEDCYPLRWEKQT-CMHWJLCHSA-N
Formula: C22H32O6
Molecular Weight: 392.486723
Exact Mass: 392.219889
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 : Abietanes; 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) | 71.6 |
| 2 (CH2) | 32.1 |
| 3 (CH) | 79.5 |
| 4 (C) | 36.1 |
| 5 (CH) | 57.4 |
| 6 (C) | 199.3 |
| 7 (CH) | 128 |
| 8 (C) | 157.8 |
| 9 (CH) | 61.2 |
| 10 (C) | 47.4 |
| 11 (CH) | 69.2 |
| 12 (CH2) | 42 |
| 13 (CH) | 37.1 |
| 14 (CH2) | 41.9 |
| 15 (C) | 153.6 |
| 16 (CH2) | 64.5 |
| 17 (CH2) | 108.2 |
| 18 (CH3) | 27.6 |
| 19 (CH3) | 22.2 |
| 20 (CH3) | 10.9 |
| 3a (C) | 170.2 |
| 3b (CH3) | 20.9 |
