Spektraris NMR
Salaspermic acid
Common Name: Salaspermic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O2/c1-20-29-10-8-21-26(5,22(29)9-11-30(20,31)32-19-29)15-17-28(7)23-18-24(2,3)12-13-25(23,4)14-16-27(21,28)6/h20-23,31H,8-19H2,1-7H3/t20-,21+,22+,23-,25-,26-,27-,28+,29+,30+/m1/s1
InChIKey: InChIKey=TYOGWGVOHVDWFP-QWKJUENVSA-N
Formula: C30H50O2
Molecular Weight: 442.717924
Exact Mass: 442.381081
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Duan, H.G., Kawazoe, K., Bando, M., Kido, M., Takaishi, Y. Phytochemistry (1997) 46, 535-43
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) | 20.6 |
| 2 (CH2) | 39.1 |
| 3 (C) | 106.7 |
| 4 (CH) | 57.3 |
| 5 (C) | 47.1 |
| 6 (CH2) | 34.1 |
| 7 (CH2) | 19.6 |
| 8 (CH) | 50.2 |
| 9 (C) | 37.6 |
| 10 (CH) | 53.9 |
| 11 (CH2) | 34.8 |
| 12 (CH2) | 29.5 |
| 13 (C) | 39.6 |
| 14 (C) | 39.3 |
| 15 (CH2) | 29.6 |
| 16 (CH2) | 36.7 |
| 17 (C) | 30.5 |
| 18 (CH) | 44.8 |
| 19 (CH2) | 30.9 |
| 20 (C) | 40.7 |
| 21 (CH2) | 30.5 |
| 22 (CH2) | 37.4 |
| 23 (CH3) | 8.6 |
| 24 (CH2) | 73.1 |
| 25 (CH3) | 16.9 |
| 26 (CH3) | 16.7 |
| 27 (CH3) | 18.1 |
| 28 (CH3) | 32.1 |
| 29 (CH3) | 181.4 |
| 30 (CH3) | 32.4 |
