Spektraris NMR
Castanopsone
Common Name: Castanopsone
Synonyms: Castanopsone
CAS Registry Number:
InChI: InChI=1S/C30H48O2/c1-25(2)13-14-27(5)15-16-28(6)19(20(27)18-25)9-10-22-29(28,7)12-11-21-26(3,4)23(31)17-24(32)30(21,22)8/h9,20-23,31H,10-18H2,1-8H3/t20-,21-,22-,23-,27+,28+,29+,30-/m0/s1
InChIKey: InChIKey=LZPGYZAPTONPJS-YEGDJMBSSA-N
Formula: C30H48O2
Molecular Weight: 440.702043
Exact Mass: 440.365431
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kagawa, M., Minami, H., Nakahara, M., Takahashi, H., Takaoka, S., Fukuyama, Y. Phytochemistry (1998) 47, 1337-41
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 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) | 211.7 |
| 2 (CH2) | 45.8 |
| 3 (CH) | 78 |
| 4 (C) | 38.7 |
| 5 (CH) | 53.4 |
| 6 (CH2) | 17.2 |
| 7 (CH2) | 32 |
| 8 (C) | 41.3 |
| 9 (CH) | 38.5 |
| 10 (C) | 51.7 |
| 11 (CH2) | 25.2 |
| 12 (CH) | 121.1 |
| 13 (C) | 143.5 |
| 14 (C) | 39.1 |
| 15 (CH2) | 25.5 |
| 16 (CH2) | 23.1 |
| 17 (C) | 36.5 |
| 18 (CH) | 43.5 |
| 19 (CH2) | 46.8 |
| 20 (C) | 27.9 |
| 21 (CH2) | 34.2 |
| 22 (CH2) | 30.5 |
| 23 (CH3) | 27.8 |
| 24 (CH3) | 15.4 |
| 25 (CH3) | 14.4 |
| 26 (CH3) | 17 |
| 27 (CH3) | 26.3 |
| 28 (CH3) | 23.1 |
| 29 (CH3) | 32.7 |
| 30 (CH3) | 24.7 |
