Spektraris NMR
Spinogenin C2 monoglucosyl ester
Common Name: Spinogenin C2 monoglucosyl ester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H56O10/c1-31(18-38)12-14-36(30(44)46-29-28(43)27(42)26(41)22(17-37)45-29)15-13-34(4)20(21(36)16-31)6-7-24-32(2)10-9-25(40)33(3,19-39)23(32)8-11-35(24,34)5/h6,19,21-29,37-38,40-43H,7-18H2,1-5H3/t21-,22+,23+,24+,25+,26+,27-,28+,29-,31-,32-,33-,34+,35+,36-/m0/s1
InChIKey: InChIKey=RQUPISPZJQVAAL-MJNUIVECSA-N
Formula: C36H56O10
Molecular Weight: 648.825224
Exact Mass: 648.387348
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) | 72.7 |
| 4 (C) | 52.4 |
| 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) | 122.8 |
| 13 (C) | 144.2 |
| 14 (C) | 42.3 |
| 15 (CH2) | 28.2 |
| 16 (CH2) | 23.7 |
| 17 (C) | 47 |
| 18 (CH) | 41.4 |
| 19 (CH2) | 41.6 |
| 20 (C) | 35.7 |
| 21 (CH2) | 29.4 |
| 22 (CH2) | 32.3 |
| 23 (CH) | 209.3 |
| 24 (CH3) | 14.8 |
| 25 (CH3) | 15.6 |
| 26 (CH3) | 17.7 |
| 27 (CH3) | 26.1 |
| 28 (C) | 176.5 |
| 29 (CH3) | 28.3 |
| 30 (CH2) | 65.4 |
| 1' (CH) | 95.7 |
| 2' (CH) | 74.1 |
| 3' (CH) | 78.9 |
| 4' (CH) | 71.1 |
| 5' (CH) | 79.3 |
| 6' (CH2) | 62.2 |
