Spektraris NMR
Salasone A
Common Name: Salasone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O3/c1-19-20(32)8-9-21-27(19,5)11-10-22-28(21,6)14-15-29(7)23-16-25(2,3)12-13-26(23,4)17-24(33)30(22,29)18-31/h19,21-23,31H,8-18H2,1-7H3/t19-,21+,22-,23+,26+,27+,28-,29-,30-/m0/s1
InChIKey: InChIKey=SFQIROXRVOZPDS-AOTSYCJBSA-N
Formula: C30H48O3
Molecular Weight: 456.701448
Exact Mass: 456.360345
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Morikawa, T., Kishi, A., Pongpiriyadacha, Y., Matsuda, H., Yoshikawa, M. J Nat Prod (2003) 66, 1191-6
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Friedelanes; 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) | 22.2 |
| 2 (CH2) | 41.3 |
| 3 (C) | 212.4 |
| 4 (CH) | 58.1 |
| 5 (C) | 41.9 |
| 6 (CH2) | 40.8 |
| 7 (CH2) | 21.4 |
| 8 (CH) | 45.3 |
| 9 (C) | 37.4 |
| 10 (CH) | 59.2 |
| 11 (CH2) | 34 |
| 12 (CH2) | 30.9 |
| 13 (C) | 42.4 |
| 14 (C) | 59.8 |
| 15 (C) | 211.6 |
| 16 (CH2) | 54.3 |
| 17 (C) | 32.6 |
| 18 (CH) | 44.1 |
| 19 (CH2) | 35.7 |
| 20 (C) | 28 |
| 21 (CH2) | 32.9 |
| 22 (CH2) | 39.3 |
| 23 (CH3) | 6.8 |
| 24 (CH3) | 15 |
| 25 (CH3) | 17.6 |
| 26 (CH2) | 60.5 |
| 27 (CH3) | 19.9 |
| 28 (CH3) | 32.5 |
| 29 (CH3) | 34.6 |
| 30 (CH3) | 31.5 |
