Spektraris NMR
Lungshengenin B
Common Name: Lungshengenin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H38O10/c1-12-17-9-19(35-13(2)29)22-27(8)21(18(33)11-28(22,10-17)24(12)37-15(4)31)26(6,7)25(38-16(5)32)20(23(27)34)36-14(3)30/h17,19-25,34H,1,9-11H2,2-8H3/t17-,19+,20+,21-,22+,23+,24-,25+,27-,28+/m1/s1
InChIKey: InChIKey=CXQSBKKFTCJQCK-NLLYWUAQSA-N
Formula: C28H38O10
Molecular Weight: 534.596403
Exact Mass: 534.246497
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) | 76.4 |
| 2 (CH) | 72.9 |
| 3 (CH) | 78 |
| 4 (C) | 36.8 |
| 5 (CH) | 58.3 |
| 6 (C) | 209.4 |
| 7 (CH2) | 54.1 |
| 8 (C) | 49.5 |
| 9 (CH) | 54.5 |
| 10 (C) | 49.5 |
| 11 (CH) | 70 |
| 12 (CH2) | 38.9 |
| 13 (CH) | 39.1 |
| 14 (CH2) | 37 |
| 15 (CH) | 81.4 |
| 16 (C) | 151.5 |
| 17 (CH2) | 106.8 |
| 18 (CH3) | 26.7 |
| 19 (CH3) | 21.9 |
| 20 (CH3) | 16.8 |
| 2a (C) | 171.1 |
| 2b (CH3) | 21.7 |
| 3a (C) | 170.7 |
| 3b (CH3) | 20.8 |
| 11a (C) | 170.4 |
| 11b (CH3) | 20.8 |
| 15a (C) | 170.3 |
| 15b (CH3) | 20.4 |
