Spektraris NMR
Spinogenin C6
Common Name: Spinogenin C6
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H46O5/c1-24(34)12-14-29(23(32)33)15-13-27(4)18(19(29)16-24)6-7-21-25(2)10-9-22(31)26(3,17-30)20(25)8-11-28(21,27)5/h6,19-22,30-31,34H,7-17H2,1-5H3,(H,32,33)/t19-,20+,21+,22+,24+,25-,26-,27+,28+,29-/m0/s1
InChIKey: InChIKey=ONLSRBVFGVMWOK-PGYIHPJDSA-N
Formula: C29H46O5
Molecular Weight: 474.67364
Exact Mass: 474.334525
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Miyakoshi, M., Isoda, S., Sato, H., Hirai, Y., Shoji, J., Ida, Y. Phytochemistry (1997) 46, 1255-9
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 (CH2) | 33.4 |
| 2 (CH2) | 26.5 |
| 3 (CH) | 75.7 |
| 4 (C) | 40.7 |
| 5 (CH) | 53.6 |
| 6 (CH2) | 18.4 |
| 7 (CH2) | 32.7 |
| 8 (C) | 39.9 |
| 9 (CH) | 48 |
| 10 (C) | 37.3 |
| 11 (CH2) | 23.8 |
| 12 (CH) | 122.7 |
| 13 (C) | 144.4 |
| 14 (C) | 43.2 |
| 15 (CH2) | 28.3 |
| 16 (CH2) | 23.8 |
| 17 (C) | 46.7 |
| 18 (CH) | 44.4 |
| 19 (CH2) | 48.1 |
| 20 (C) | 69.9 |
| 21 (CH2) | 36.2 |
| 22 (CH2) | 35.2 |
| 23 (CH2) | 71.3 |
| 24 (CH3) | 18.2 |
| 25 (CH3) | 15.8 |
| 26 (CH3) | 17.5 |
| 27 (CH3) | 26 |
| 28 (C) | 180 |
| 29 (CH3) | 25.7 |
