Spektraris NMR
Spinogenin C3 monoglucosyl ester
Common Name: Spinogenin C3 monoglucosyl ester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H56O9/c1-30(2)22-9-12-34(6)23(32(22,4)11-10-24(30)37)8-7-19-20-17-31(3,42)13-15-35(20,16-14-33(19,34)5)29(41)44-28-27(40)26(39)25(38)21(18-36)43-28/h7,20-28,36-40,42H,8-18H2,1-6H3/t20-,21+,22-,23+,24+,25+,26-,27+,28-,31+,32-,33+,34+,35-/m0/s1
InChIKey: InChIKey=SFVRXKFOXANJSU-CRNCOTHESA-N
Formula: C35H56O9
Molecular Weight: 620.815083
Exact Mass: 620.392433
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) | 33.2 |
| 8 (C) | 40.1 |
| 9 (CH) | 47.9 |
| 10 (C) | 37.5 |
| 11 (CH2) | 23.8 |
| 12 (CH) | 123.1 |
| 13 (C) | 143.6 |
| 14 (C) | 42.2 |
| 15 (CH2) | 28.2 |
| 16 (CH2) | 23.6 |
| 17 (C) | 47.1 |
| 18 (CH) | 44.2 |
| 19 (CH2) | 47.9 |
| 20 (C) | 69.6 |
| 21 (CH2) | 36 |
| 22 (CH2) | 34.5 |
| 23 (CH3) | 29.3 |
| 24 (CH3) | 22.7 |
| 25 (CH3) | 15.5 |
| 26 (CH3) | 17.6 |
| 27 (CH3) | 25.9 |
| 28 (C) | 176.3 |
| 29 (CH3) | 25.6 |
| 1' (CH) | 95.8 |
| 2' (CH) | 74.1 |
| 3' (CH) | 78.9 |
| 4' (CH) | 71.2 |
| 5' (CH) | 79.3 |
| 6' (CH2) | 62.3 |
