Spektraris NMR
Spinoside C6
Common Name: Spinoside C6
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C47H76O19/c1-21-29(51)31(53)34(56)39(62-21)65-37-24(18-48)63-38(36(58)33(37)55)61-19-25-30(52)32(54)35(57)40(64-25)66-41(59)47-15-13-42(2,60)17-23(47)22-7-8-27-43(3)11-10-28(50)44(4,20-49)26(43)9-12-46(27,6)45(22,5)14-16-47/h7,21,23-40,48-58,60H,8-20H2,1-6H3/t21-,23-,24+,25+,26+,27+,28+,29-,30+,31+,32-,33+,34+,35+,36+,37+,38+,39-,40-,42+,43-,44-,45+,46+,47-/m0/s1
InChIKey: InChIKey=LZTJOTPKQYCXHR-VPBDZAIUSA-N
Formula: C47H76O19
Molecular Weight: 945.096778
Exact Mass: 944.49808
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) | 33.3 |
| 2 (CH2) | 26.3 |
| 3 (CH) | 75 |
| 4 (C) | 40.5 |
| 5 (CH) | 43.5 |
| 6 (CH2) | 18.3 |
| 7 (CH2) | 32.7 |
| 8 (C) | 39.9 |
| 9 (CH) | 47.9 |
| 10 (C) | 37.2 |
| 11 (CH2) | 23.7 |
| 12 (CH) | 123 |
| 13 (C) | 143.6 |
| 14 (C) | 42.1 |
| 15 (CH2) | 28.1 |
| 16 (CH2) | 23.4 |
| 17 (C) | 47 |
| 18 (CH) | 43.9 |
| 19 (CH2) | 47.6 |
| 20 (C) | 69.6 |
| 21 (CH2) | 35.7 |
| 22 (CH2) | 34.3 |
| 23 (CH2) | 71 |
| 24 (CH3) | 18 |
| 25 (CH3) | 15.8 |
| 26 (CH3) | 17.5 |
| 27 (CH3) | 25.8 |
| 28 (C) | 176.4 |
| 29 (CH3) | 25.4 |
| 1' (CH) | 95.6 |
| 2' (CH) | 73.6 |
| 3' (CH) | 78.4 |
| 4' (CH) | 70.5 |
| 5' (CH) | 77.8 |
| 6' (CH2) | 69.1 |
| 1'' (CH) | 104.7 |
| 2'' (CH) | 75.3 |
| 3'' (CH) | 76.3 |
| 4'' (CH) | 78.3 |
| 5'' (CH) | 77 |
| 6'' (CH2) | 61.1 |
| 1''' (CH) | 102.6 |
| 2''' (CH) | 72.4 |
| 3''' (CH) | 72.3 |
| 4''' (CH) | 73.7 |
| 5''' (CH) | 70.5 |
| 6''' (CH3) | 18.4 |
