Spektraris NMR
Neolitrane
Common Name: Neolitrane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H30O8/c1-12-11-27-18-16(12)17(25)19-23(31-19,21(26)29-14-7-5-4-6-8-14)10-9-15-22(3,30-15)20(18)28-13(2)24/h11,14-15,17,19-20,25H,4-10H2,1-3H3/t15?,17-,19?,20+,22+,23?/m1/s1
InChIKey: InChIKey=IFHVFPIPGFCERI-ZNUPFJQXSA-N
Formula: C23H30O8
Molecular Weight: 434.480388
Exact Mass: 434.194068
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chen, K.S., Chang, F.R., Jong, T.T., Wu, Y.C. J Nat Prod (1996) 59, 704-6
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Germacranes; 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 (C) | 59.21 |
| 2 (CH) | 57.54 |
| 3 (CH2) | 23.44 |
| 4 (CH2) | 24.71 |
| 5 (C) | 63.66 |
| 6 (CH) | 71.2 |
| 7 (CH) | 63.28 |
| 8 (C) | 126.21 |
| 9 (C) | 148.21 |
| 10 (CH) | 68.92 |
| 11 (C) | 120.44 |
| 12 (CH) | 138.66 |
| 13 (CH3) | 8.29 |
| 14 (CH3) | 14.69 |
| 15 (C) | 167.95 |
| 10a (C) | 168.2 |
| 10b (CH3) | 20.8 |
| 15a (CH) | 47.97 |
| 15b (CH2) | 32.94 |
| 15c (CH2) | 25.53 |
| 15d (CH2) | 30.32 |
| 15e (CH2) | 24.86 |
| 15f (CH2) | 32.14 |
