Spektraris NMR
Spirowallichiione
Common Name: Spirowallichiione
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O3/c1-24(2)11-12-26(5)13-14-29(8)23(33)30(16-15-27(29,6)20(26)18-24)22(32)17-19-25(3,4)21(31)9-10-28(19,30)7/h19-22,31-32H,9-18H2,1-8H3/t19-,20+,21-,22-,26+,27-,28-,29+,30?/m0/s1
InChIKey: InChIKey=RCCNFZVGQUAHMO-VORBLJTFSA-N
Formula: C30H50O3
Molecular Weight: 458.717329
Exact Mass: 458.375995
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ali, M.S., Ahmed, S., Saleem, M. Molecules (2008) 13, 405-11
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Multifloranes; 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) | 34.3 |
| 2 (CH2) | 28.4 |
| 3 (CH) | 79.3 |
| 4 (C) | 37.9 |
| 5 (CH) | 47.9 |
| 6 (CH2) | 21.8 |
| 7 (CH) | 77.9 |
| 8 (C) | 220.1 |
| 9 (C) | 60 |
| 10 (C) | 49.7 |
| 11 (CH2) | 30 |
| 12 (CH2) | 31.4 |
| 13 (C) | 38.7 |
| 14 (C) | 54.4 |
| 15 (CH2) | 25.5 |
| 16 (CH2) | 35.9 |
| 17 (C) | 30.6 |
| 18 (CH) | 43.7 |
| 19 (CH2) | 34.9 |
| 20 (C) | 28.2 |
| 21 (CH2) | 33.9 |
| 22 (CH2) | 36.4 |
| 23 (CH3) | 29.8 |
| 24 (CH3) | 16.7 |
| 25 (CH3) | 17.4 |
| 26 (CH3) | 22.4 |
| 27 (CH3) | 21.8 |
| 28 (CH3) | 31.5 |
| 29 (CH3) | 34.4 |
| 30 (CH3) | 32.9 |
