Spektraris NMR
Adenanthin J
Common Name: Adenanthin J
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)23(35-14(4)29)26(20,10-15)22(11)32/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=MSZRIKPXGUMGBV-PMFMSTFJSA-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) | 79.6 |
| 2 (CH2) | 33.3 |
| 3 (CH) | 75.1 |
| 4 (C) | 37.1 |
| 5 (CH) | 51.3 |
| 6 (C) | 207.7 |
| 7 (CH) | 86.1 |
| 8 (C) | 51.8 |
| 9 (CH) | 50 |
| 10 (C) | 49 |
| 11 (CH) | 69.6 |
| 12 (CH2) | 39.8 |
| 13 (CH) | 38.1 |
| 14 (CH2) | 33.7 |
| 15 (CH) | 81.5 |
| 16 (C) | 157.3 |
| 17 (CH2) | 106.4 |
| 18 (CH3) | 27.4 |
| 19 (CH3) | 22.9 |
| 20 (CH3) | 15 |
| 1a (C) | 170.3 |
| 1b (CH3) | 21.8 |
| 7a (C) | 170.3 |
| 7b (CH3) | 21.3 |
| 11a (C) | 169 |
| 11b (CH3) | 20.9 |
