Spektraris NMR
3-0-b-D-glucopyranosyl-23,24-dihydrocucurbitacin F
Common Name: 3-0-b-D-glucopyranosyl-23,24-dihydrocucurbitacin F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H58O12/c1-31(2,45)12-11-23(40)36(8,46)28-20(39)14-33(5)22-10-9-17-18(35(22,7)24(41)15-34(28,33)6)13-19(38)29(32(17,3)4)48-30-27(44)26(43)25(42)21(16-37)47-30/h9,18-22,25-30,37-39,42-46H,10-16H2,1-8H3/t18-,19+,20-,21-,22+,25-,26+,27-,28+,29-,30+,33+,34-,35+,36+/m1/s1
InChIKey: InChIKey=MSHWJYPCLRLDEB-GFJBZRDRSA-N
Formula: C36H58O12
Molecular Weight: 682.839915
Exact Mass: 682.392827
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Mata, R., Rayo Camacho, M.d., Cervera, E., Bye, R., Linares, E. Phytochemistry (1990) 29, 2037-40
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cucurbitanes; 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) | 34 |
| 2 (CH) | 70.4 |
| 3 (CH) | 93.7 |
| 4 (C) | 42.5 |
| 5 (C) | 142 |
| 6 (CH) | 119.4 |
| 7 (CH2) | 25.2 |
| 8 (CH) | 43.1 |
| 9 (C) | 48.8 |
| 10 (CH) | 34.1 |
| 11 (C) | 213.1 |
| 12 (CH2) | 49.2 |
| 13 (C) | 48.6 |
| 14 (C) | 51 |
| 15 (CH2) | 46.2 |
| 16 (CH) | 71.2 |
| 17 (CH) | 58.8 |
| 18 (CH3) | 20.3 |
| 19 (CH3) | 19.2 |
| 20 (C) | 80.1 |
| 21 (CH3) | 25.4 |
| 22 (C) | 216 |
| 23 (CH2) | 32.6 |
| 24 (CH2) | 38.3 |
| 25 (C) | 69.2 |
| 26 (CH3) | 30 |
| 27 (CH3) | 29.7 |
| 28 (CH3) | 20.5 |
| 29 (CH3) | 23.4 |
| 30 (CH3) | 20.4 |
| 3a (CH) | 107 |
| 3b (CH) | 76.2 |
| 3c (CH) | 78.6 |
| 3d (CH) | 71.7 |
| 3e (CH) | 78.4 |
| 3f (CH2) | 62.9 |
