Spektraris NMR
2-O-?-D-glucopyranosyl-23, 24-dihydrocucurbitacin F
Common Name: 2-O-?-D-glucopyranosyl-23, 24-dihydrocucurbitacin F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H58O12/c1-31(2,45)12-11-23(39)36(8,46)28-19(38)14-33(5)22-10-9-17-18(35(22,7)24(40)15-34(28,33)6)13-20(29(44)32(17,3)4)47-30-27(43)26(42)25(41)21(16-37)48-30/h9,18-22,25-30,37-38,41-46H,10-16H2,1-8H3/t18-,19-,20+,21-,22+,25-,26+,27-,28+,29-,30-,33+,34-,35+,36+/m1/s1
InChIKey: InChIKey=UUTGLLDUBDFZOP-DJKNLBHJSA-N
Formula: C36H58O12
Molecular Weight: 682.839915
Exact Mass: 682.392827
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Kasai, R., Matsumoto, K., Nie, R., Zhou, J., Tanaka, O. Chem Pharm Bull (1988) 36, 234-43
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) | 32.5 |
| 2 (CH) | 82.2 |
| 3 (CH) | 79.6 |
| 4 (C) | 42 |
| 5 (C) | 141.8 |
| 6 (CH) | 118.2 |
| 7 (CH2) | 23.7 |
| 8 (CH) | 42.6 |
| 9 (C) | 48 |
| 10 (CH) | 32.9 |
| 11 (C) | 216 |
| 12 (CH2) | 49.3 |
| 13 (C) | 47.8 |
| 14 (C) | 50.4 |
| 15 (CH2) | 45.8 |
| 16 (CH) | 69.5 |
| 17 (CH) | 58.3 |
| 18 (CH3) | 20 |
| 19 (CH3) | 20 |
| 20 (C) | 79.52 |
| 21 (CH3) | 21.6 |
| 22 (C) | 213.3 |
| 23 (CH2) | 32.4 |
| 24 (CH2) | 37.6 |
| 25 (C) | 68.6 |
| 26 (CH3) | 29.6 |
| 27 (CH3) | 29.6 |
| 28 (CH3) | 25 |
| 29 (CH3) | 22 |
| 30 (CH3) | 18.8 |
| 2a (CH) | 105 |
| 2b (CH) | 74.6 |
| 2c (CH) | 76.7 |
| 2d (CH) | 70 |
| 2e (CH) | 77.1 |
| 2f (CH2) | 61.3 |
