Spektraris NMR
Linifolioside
Common Name: Linifolioside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H50O11/c1-7-31(5)10-8-17-16(13-31)18(34)12-20-30(3,4)21(9-11-32(17,20)6)42-29-27(25(38)23(36)19(14-33)41-29)43-28-26(39)24(37)22(35)15(2)40-28/h7,13,15,17,19-29,33,35-39H,1,8-12,14H2,2-6H3/t15-,17-,19+,20-,21-,22-,23+,24+,25-,26+,27+,28-,29-,31-,32+/m0/s1
InChIKey: InChIKey=KFAKUSFWWBRWEJ-DDAYEYNQSA-N
Formula: C32H50O11
Molecular Weight: 610.734041
Exact Mass: 610.335312
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sadhu, S.K., Okuyama, E., Fujimoto, H., Ishibashi, M. J Nat Prod (2006) 69, 988-94
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Isopimaranes; 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) | 38 |
| 2 (CH2) | 27.4 |
| 3 (CH) | 89.4 |
| 4 (C) | 40.2 |
| 5 (CH) | 51.3 |
| 6 (CH2) | 37.7 |
| 7 (C) | 202.8 |
| 8 (C) | 136.6 |
| 9 (CH) | 52 |
| 10 (C) | 36.7 |
| 11 (CH2) | 20.2 |
| 12 (CH2) | 35.2 |
| 13 (C) | 39.8 |
| 14 (CH) | 145.6 |
| 15 (CH) | 147.8 |
| 16 (CH2) | 112.2 |
| 17 (CH3) | 26.2 |
| 18 (CH3) | 27.7 |
| 19 (CH3) | 16.2 |
| 20 (CH3) | 14.2 |
| 1' (CH) | 105.6 |
| 2' (CH) | 79.5 |
| 3' (CH) | 78.9 |
| 4' (CH) | 72.2 |
| 5' (CH) | 77.7 |
| 6' (CH2) | 62.8 |
| 1'' (CH) | 101.9 |
| 2'' (CH) | 72.07 |
| 3'' (CH) | 72.11 |
| 4'' (CH) | 74 |
| 5'' (CH) | 70 |
| 6'' (CH3) | 18 |
