Spektraris NMR
Langduin B
Common Name: Langduin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O6/c1-18(2)5-4-6-19(3)14(18)8-13(22)10-7-12-11(9-21)17(24)26-20(12,25)16(23)15(10)19/h7,13-16,21-23,25H,4-6,8-9H2,1-3H3/t13-,14+,15-,16+,19+,20+/m0/s1
InChIKey: InChIKey=YXLWTUIPFPTBEL-QQPVWDQJSA-N
Formula: C20H28O6
Molecular Weight: 364.433489
Exact Mass: 364.188589
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Che, C.T., Zhou, T.X., Ma, Q.G., Qin, G.W., Williams, I.D., Wu, H.M., Shi, Z.S. Phytochemistry (1999) 52, 117-21
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abietanes; 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) | 40.2 |
| 2 (CH2) | 18.9 |
| 3 (CH2) | 41.8 |
| 4 (C) | 41 |
| 5 (CH) | 46.7 |
| 6 (CH2) | 30.7 |
| 7 (CH) | 71.1 |
| 8 (C) | 155.2 |
| 9 (CH) | 55.3 |
| 10 (C) | 32.7 |
| 11 (CH) | 70.2 |
| 12 (C) | 104.3 |
| 13 (C) | 156 |
| 14 (CH) | 115.4 |
| 15 (C) | 124 |
| 16 (C) | 172.1 |
| 17 (CH2) | 55.5 |
| 18 (CH3) | 32.9 |
| 19 (CH3) | 21.4 |
| 20 (CH3) | 14.4 |
