Spektraris NMR
Lungshengenin E
Common Name: Lungshengenin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H38O9/c1-13-18-9-20(34-14(2)29)23-27(8)12-21(35-15(3)30)25(37-17(5)32)26(6,7)22(27)19(33)11-28(23,10-18)24(13)36-16(4)31/h18,20-25H,1,9-12H2,2-8H3/t18-,20+,21+,22-,23+,24-,25+,27-,28+/m1/s1
InChIKey: InChIKey=CSSFHCNGJKKNKZ-XUKUEXQNSA-N
Formula: C28H38O9
Molecular Weight: 518.596998
Exact Mass: 518.251583
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 (CH2) | 39.1 |
| 2 (CH) | 67.9 |
| 3 (CH) | 77.1 |
| 4 (C) | 37.5 |
| 5 (CH) | 58.6 |
| 6 (C) | 209.3 |
| 7 (CH2) | 53.1 |
| 8 (C) | 48.9 |
| 9 (CH) | 53.5 |
| 10 (C) | 44.7 |
| 11 (CH) | 67.9 |
| 12 (CH2) | 39.6 |
| 13 (CH) | 38.8 |
| 14 (CH2) | 36.5 |
| 15 (CH) | 81.4 |
| 16 (C) | 151.4 |
| 17 (CH2) | 107.8 |
| 18 (CH3) | 27 |
| 19 (CH3) | 21.9 |
| 20 (CH3) | 19.8 |
| 2a (C) | 171.1 |
| 2b (CH3) | 21.5 |
| 3a (C) | 170.5 |
| 3b (CH3) | 20.9 |
| 11a (C) | 170.4 |
| 11b (CH3) | 20.8 |
| 15a (C) | 169.6 |
| 15b (CH3) | 20.4 |
