Spektraris NMR
Vaticinone
Common Name: Vaticinone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H44O2/c1-19(8-7-9-20(2)30)21-12-14-27(6)23-11-10-22-25(3,4)24(31)13-15-28(22)18-29(23,28)17-16-26(21,27)5/h7,9,19,21-23H,8,10-18H2,1-6H3/b9-7+/t19-,21+,22+,23+,26-,27+,28-,29+/m1/s1
InChIKey: InChIKey=SRSDDLZWQZWBBZ-GCMKQODLSA-N
Formula: C29H44O2
Molecular Weight: 424.659544
Exact Mass: 424.334131
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Zhang, H.J., Tan, G.T., Hoang, V.D., Hung, N.V., Cuong, N.M., Soejarto, D.D., Pezzuto, J.M., Fong, H.H. J Nat Prod (2003) 66, 263-8
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) | 33.4 |
| 2 (CH2) | 37.5 |
| 3 (C) | 216.6 |
| 4 (C) | 50.2 |
| 5 (CH) | 48.4 |
| 6 (CH2) | 21.5 |
| 7 (CH2) | 25.8 |
| 8 (CH) | 47.9 |
| 9 (C) | 21 |
| 10 (C) | 26 |
| 11 (CH2) | 26.6 |
| 12 (CH2) | 32.6 |
| 13 (C) | 45.4 |
| 14 (C) | 48.8 |
| 15 (CH2) | 35.5 |
| 16 (CH2) | 28.2 |
| 17 (CH) | 52.2 |
| 18 (CH3) | 18.1 |
| 19 (CH2) | 29.6 |
| 20 (CH) | 36.1 |
| 21 (CH3) | 18.6 |
| 22 (CH2) | 39.6 |
| 23 (CH) | 147.6 |
| 24 (CH) | 132.6 |
| 25 (C) | 198.2 |
| 26 (CH3) | 27 |
| 28 (CH3) | 22.2 |
| 29 (CH3) | 20.8 |
| 30 (CH3) | 19.3 |
