Spektraris NMR
24-Methylenepollinastanone
Common Name: 24-Methylenepollinastanone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H46O/c1-19(2)20(3)7-8-21(4)24-12-13-27(6)25-10-9-22-17-23(30)11-14-28(22)18-29(25,28)16-15-26(24,27)5/h19,21-22,24-25H,3,7-18H2,1-2,4-6H3/t21-,22+,24-,25+,26-,27+,28-,29+/m1/s1
InChIKey: InChIKey=KPHSEIXOJZXLJE-UCWKWJRUSA-N
Formula: C29H46O1
Molecular Weight: 410.676021
Exact Mass: 410.354866
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Akihisa, T., Kimura, Y., Tamura, T. Phytochemistry (1998) 47, 1107-10
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloartanes; 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) | 32.1 |
| 2 (CH2) | 41.3 |
| 3 (C) | 212.9 |
| 4 (CH2) | 48.5 |
| 5 (CH) | 39.8 |
| 6 (CH2) | 28.4 |
| 7 (CH2) | 24.9 |
| 8 (CH) | 46.9 |
| 9 (C) | 24.5 |
| 10 (C) | 29.2 |
| 11 (CH2) | 27.2 |
| 12 (CH2) | 32.7 |
| 13 (C) | 45.4 |
| 14 (C) | 48.9 |
| 15 (CH2) | 35.3 |
| 16 (CH2) | 28.1 |
| 17 (CH) | 52.2 |
| 18 (CH3) | 17.8 |
| 19 (CH2) | 25.9 |
| 20 (CH) | 36.1 |
| 21 (CH3) | 18.3 |
| 22 (CH2) | 35 |
| 23 (CH2) | 31.3 |
| 24 (C) | 156.9 |
| 25 (CH) | 33.8 |
| 26 (CH3) | 21.9 |
| 27 (CH3) | 22 |
| 30 (CH3) | 19.1 |
| 24a (CH2) | 106 |
