Spektraris NMR
Adenanthin B
Common Name: Adenanthin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H38O8/c1-12-16-8-17(32-13(2)27)22-25(7)18(24(5,6)19(30)10-20(25)33-14(3)28)9-21(34-15(4)29)26(22,11-16)23(12)31/h16-23,30-31H,1,8-11H2,2-7H3/t16-,17+,18-,19+,20+,21+,22+,23-,25+,26+/m1/s1
InChIKey: InChIKey=HLNWFWYFLIBXBQ-UDJBXQLNSA-N
Formula: C26H38O8
Molecular Weight: 478.576121
Exact Mass: 478.256668
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) | 80.3 |
| 2 (CH2) | 33.7 |
| 3 (CH) | 75.2 |
| 4 (C) | 37.7 |
| 5 (CH) | 39.1 |
| 6 (CH2) | 24.8 |
| 7 (CH) | 78.7 |
| 8 (C) | 48 |
| 9 (CH) | 50.2 |
| 10 (C) | 43 |
| 11 (CH) | 70.6 |
| 12 (CH2) | 40.2 |
| 13 (CH) | 38.6 |
| 14 (CH2) | 35.4 |
| 15 (CH) | 81.4 |
| 16 (C) | 158.3 |
| 17 (CH2) | 105.7 |
| 18 (CH3) | 28.8 |
| 19 (CH3) | 22.2 |
| 20 (CH3) | 14.2 |
| 1a (C) | 170.7 |
| 1b (CH3) | 21.9 |
| 7a (C) | 170.4 |
| 7b (CH3) | 21.5 |
| 11a (C) | 169 |
| 11b (CH3) | 21.3 |
