Spektraris NMR
Lungshengenin A
Common Name: Lungshengenin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H36O9/c1-11-15-8-17(33-12(2)27)20-25(7)19(16(30)10-26(20,9-15)21(11)31)24(5,6)23(35-14(4)29)18(22(25)32)34-13(3)28/h15-20,22-23,30,32H,1,8-10H2,2-7H3/t15-,16+,17+,18+,19-,20+,22+,23+,25-,26+/m1/s1
InChIKey: InChIKey=HITVPQQHAXTJAC-NCDBJZBRSA-N
Formula: C26H36O9
Molecular Weight: 492.559645
Exact Mass: 492.235933
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Jiang, B., Lu, Z.Q., Hou, A.J., Zhao, Q.S., Sun, H.D. J Nat Prod (1999) 62, 941-5
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) | 78.2 |
| 2 (CH) | 72.7 |
| 3 (CH) | 79 |
| 4 (C) | 38.4 |
| 5 (CH) | 49.1 |
| 6 (CH) | 66 |
| 7 (CH2) | 43.2 |
| 8 (C) | 49.8 |
| 9 (CH) | 60.6 |
| 10 (C) | 45.3 |
| 11 (CH) | 72.1 |
| 12 (CH2) | 39 |
| 13 (CH) | 37.9 |
| 14 (CH2) | 38.6 |
| 15 (C) | 209.4 |
| 16 (C) | 151.2 |
| 17 (CH2) | 111.9 |
| 18 (CH3) | 28.6 |
| 19 (CH3) | 23.6 |
| 20 (CH3) | 16.5 |
| 2a (C) | 171 |
| 2b (CH3) | 21.6 |
| 3a (C) | 170.9 |
| 3b (CH3) | 21.1 |
| 11a (C) | 169.9 |
| 11b (CH3) | 20.9 |
