Spektraris NMR
Spinoside C3
Common Name: Spinoside C3
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H46O4/c1-24(2)20-9-12-28(6)21(26(20,4)11-10-22(24)30)8-7-18-19-17-25(3,33)13-15-29(19,23(31)32)16-14-27(18,28)5/h7,19-22,30,33H,8-17H2,1-6H3,(H,31,32)/t19-,20-,21+,22+,25+,26-,27+,28+,29-/m0/s1
InChIKey: InChIKey=OLTNYMHTOUJXPV-FOOUEXEYSA-N
Formula: C29H46O4
Molecular Weight: 458.674235
Exact Mass: 458.33961
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) | 33.6 |
| 2 (CH2) | 26.3 |
| 3 (CH) | 75.2 |
| 4 (C) | 37.9 |
| 5 (CH) | 49.3 |
| 6 (CH2) | 18.6 |
| 7 (CH2) | 33.3 |
| 8 (C) | 40 |
| 9 (CH) | 48.1 |
| 10 (C) | 37.5 |
| 11 (CH2) | 23.9 |
| 12 (CH) | 122.8 |
| 13 (C) | 144.4 |
| 14 (C) | 42.2 |
| 15 (CH2) | 28.3 |
| 16 (CH2) | 23.8 |
| 17 (C) | 46.8 |
| 18 (CH) | 44.4 |
| 19 (CH2) | 47.9 |
| 20 (C) | 69.9 |
| 21 (CH2) | 36.3 |
| 22 (CH2) | 35.2 |
| 23 (CH3) | 29.3 |
| 24 (CH3) | 22.7 |
| 25 (CH3) | 15.4 |
| 26 (CH3) | 17.5 |
| 27 (CH3) | 26 |
| 28 (C) | 180 |
| 29 (CH3) | 25.7 |
