Spektraris NMR
Adenanthin K
Common Name: Adenanthin K
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H36O9/c1-11-15-8-16(33-12(2)27)20-25(7)18(34-13(3)28)9-17(30)24(5,6)21(25)19(31)22(32)26(20,10-15)23(11)35-14(4)29/h15-18,20-23,30,32H,1,8-10H2,2-7H3/t15-,16+,17+,18+,20+,21-,22+,23-,25+,26-/m1/s1
InChIKey: InChIKey=RQAVBFNKRIQRDR-ALUVBQLPSA-N
Formula: C26H36O9
Molecular Weight: 492.559645
Exact Mass: 492.235933
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) | 80 |
| 2 (CH2) | 33.4 |
| 3 (CH) | 75.6 |
| 4 (C) | 37.1 |
| 5 (CH) | 49.9 |
| 6 (C) | 213.7 |
| 7 (CH) | 84.9 |
| 8 (C) | 51.8 |
| 9 (CH) | 51 |
| 10 (C) | 48.2 |
| 11 (CH) | 68.8 |
| 12 (CH2) | 40.4 |
| 13 (CH) | 38.9 |
| 14 (CH2) | 35 |
| 15 (CH) | 80 |
| 16 (C) | 153.4 |
| 17 (CH2) | 106.4 |
| 18 (CH3) | 27.3 |
| 19 (CH3) | 23.1 |
| 20 (CH3) | 15.7 |
| 1a (C) | 171.1 |
| 1b (CH3) | 22 |
| 11a (C) | 170.4 |
| 11b (CH3) | 21.5 |
| 15a (C) | 170.1 |
| 15b (CH3) | 21.5 |
