Spektraris NMR
Spinoside C2
Common Name: Spinoside C2
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C48H76O19/c1-22-30(53)32(55)35(58)40(63-22)66-38-25(18-49)64-39(37(60)34(38)57)62-19-26-31(54)33(56)36(59)41(65-26)67-42(61)48-15-13-43(2,20-50)17-24(48)23-7-8-28-44(3)11-10-29(52)45(4,21-51)27(44)9-12-47(28,6)46(23,5)14-16-48/h7,21-22,24-41,49-50,52-60H,8-20H2,1-6H3/t22-,24-,25+,26+,27+,28+,29+,30-,31+,32+,33-,34+,35+,36+,37+,38+,39+,40-,41-,43-,44-,45-,46+,47+,48-/m0/s1
InChIKey: InChIKey=IFYHLPBBPBCPBM-LVRKUJMWSA-N
Formula: C48H76O19
Molecular Weight: 957.107514
Exact Mass: 956.49808
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) | 32.8 |
| 2 (CH2) | 26.4 |
| 3 (CH) | 72.6 |
| 4 (C) | 52.3 |
| 5 (CH) | 43.9 |
| 6 (CH2) | 21.1 |
| 7 (CH2) | 32.7 |
| 8 (C) | 40.5 |
| 9 (CH) | 47.8 |
| 10 (C) | 36.7 |
| 11 (CH2) | 23.7 |
| 12 (CH) | 122.9 |
| 13 (C) | 144.1 |
| 14 (C) | 42.3 |
| 15 (CH2) | 28.2 |
| 16 (CH2) | 23.7 |
| 17 (C) | 47.1 |
| 18 (CH) | 41.3 |
| 19 (CH2) | 41.6 |
| 20 (C) | 35.7 |
| 21 (CH2) | 29.4 |
| 22 (CH2) | 32.3 |
| 23 (CH) | 209.4 |
| 24 (CH3) | 14.8 |
| 25 (CH3) | 15.6 |
| 26 (CH3) | 17.7 |
| 27 (CH3) | 26 |
| 28 (C) | 176.6 |
| 29 (CH3) | 28.2 |
| 30 (CH2) | 65.4 |
| 1' (CH) | 95.7 |
| 2' (CH) | 73.8 |
| 3' (CH) | 78.8 |
| 4' (CH) | 70.9 |
| 5' (CH) | 77.9 |
| 6' (CH2) | 69.4 |
| 1'' (CH) | 105.1 |
| 2'' (CH) | 75.3 |
| 3'' (CH) | 76.5 |
| 4'' (CH) | 78.4 |
| 5'' (CH) | 77.2 |
| 6'' (CH2) | 61.3 |
| 1''' (CH) | 102.8 |
| 2''' (CH) | 72.8 |
| 3''' (CH) | 72.7 |
| 4''' (CH) | 74 |
| 5''' (CH) | 70.3 |
| 6''' (CH3) | 18.5 |
